Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07470"
| Predicate | Value (sorted: none) |
|---|---|
| rdf:type | |
| rdfs:label |
"(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one"
|
| ns1:description |
"
experimental
This compound belongs to the pyrroloquinolines. These are compounds containing a pyrroloquinoline moiety, which consists of a pyrrole ring fused to a quinoline.
Pyrroloquinolines
Organic Compounds
Heterocyclic Compounds
Quinolines and Derivatives
Pyrroloquinolines
Phenylpyrrolidines
Benzene and Substituted Derivatives
Pyrroles
Tertiary Alcohols
Tertiary Amines
Ketones
Carboxamidines
Polyamines
1-phenylpyrrolidine
benzene
pyrrole
pyrrolidine
tertiary alcohol
ketone
tertiary amine
amidine
carboxylic acid amidine
polyamine
alcohol
amine
carbonyl group
organonitrogen compound
logP
1.82
ALOGPS
logS
-3
ALOGPS
Water Solubility
2.57e-01 g/l
ALOGPS
logP
2.37
ChemAxon
IUPAC Name
(3aS)-3a-hydroxy-1-phenyl-1H,2H,3H,3aH,4H-pyrrolo[2,3-b]quinolin-4-one
ChemAxon
Traditional IUPAC Name
(3aS)-3a-hydroxy-1-phenyl-2H,3H-pyrrolo[2,3-b]quinolin-4-one
ChemAxon
Molecular Weight
278.3053
ChemAxon
Monoisotopic Weight
278.105527702
ChemAxon
SMILES
O[C@@]12CCN(C1=NC1=C(C=CC=C1)C2=O)C1=CC=CC=C1
ChemAxon
Molecular Formula
C17H14N2O2
ChemAxon
InChI
InChI=1S/C17H14N2O2/c20-15-13-8-4-5-9-14(13)18-16-17(15,21)10-11-19(16)12-6-2-1-3-7-12/h1-9,21H,10-11H2/t17-/m1/s1
ChemAxon
InChIKey
InChIKey=DOMYOVZXZIZTRD-QGZVFWFLSA-N
ChemAxon
Polar Surface Area (PSA)
52.9
ChemAxon
Refractivity
82.2
ChemAxon
Polarizability
29.32
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
11.54
ChemAxon
pKa (strongest basic)
2.25
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
4
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
24178121
PubChem Substance
99443941
PDB
BL7
BE0003893
Myosin-14
Human
# Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235
unknown
Myosin-14
Cell cycle control, cell division, chromosome partitioning
Cellular myosin that appears to play a role in cytokinesis, cell shape, and specialized functions such as secretion and capping (By similarity)
MYH14
19q13.33
None
5.69
227999.8
Human
HUGO Gene Nomenclature Committee (HGNC)
GNC:23212
GeneCards
MYH14
GenBank Gene Database
AY165122
GenBank Protein Database
33438760
UniProtKB
Q7Z406
UniProt Accession
MYH14_HUMAN
Myosin heavy chain 14
Myosin heavy chain, non-muscle IIc
NMHC II-C
Non-muscle myosin heavy chain IIc
>Myosin-14
MAAVTMSVPGRKAPPRPGPVPEAAQPFLFTPRGPSAGGGPGSGTSPQVEWTARRLVWVPS
ELHGFEAAALRDEGEEEAEVELAESGRRLRLPRDQIQRMNPPKFSKAEDMAELTCLNEAS
VLHNLRERYYSGLIYTYSGLFCVVINPYKQLPIYTEAIVEMYRGKKRHEVPPHVYAVTEG
AYRSMLQDREDQSILCTGESGAGKTENTKKVIQYLAHVASSPKGRKEPGVPGELERQLLQ
ANPILEAFGNAKTVKNDNSSRFGKFIRINFDVAGYIVGANIETYLLEKSRAIRQAKDECS
FHIFYQLLGGAGEQLKADLLLEPCSHYRFLTNGPSSSPGQERELFQETLESLRVLGFSHE
EIISMLRMVSAVLQFGNIALKRERNTDQATMPDNTAAQKLCRLLGLGVTDFSRALLTPRI
KVGRDYVQKAQTKEQADFALEALAKATYERLFRWLVLRLNRALDRSPRQGASFLGILDIA
GFEIFQLNSFEQLCINYTNEKLQQLFNHTMFVLEQEEYQREGIPWTFLDFGLDLQPCIDL
IERPANPPGLLALLDEECWFPKATDKSFVEKVAQEQGGHPKFQRPRHLRDQADFSVLHYA
GKVDYKANEWLMKNMDPLNDNVAALLHQSTDRLTAEIWKDVEGIVGLEQVSSLGDGPPGG
RPRRGMFRTVGQLYKESLSRLMATLSNTNPSFVRCIVPNHEKRAGKLEPRLVLDQLRCNG
VLEGIRICRQGFPNRILFQEFRQRYEILTPNAIPKGFMDGKQACEKMIQALELDPNLYRV
GQSKIFFRAGVLAQLEEERDLKVTDIIVSFQAAARGYLARRAFQKRQQQQSALRVMQRNC
AAYLKLRHWQWWRLFTKVKPLLQVTRQDEVLQARAQELQKVQELQQQSAREVGELQGRVA
QLEEERARLAEQLRAEAELCAEAEETRGRLAARKQELELVVSELEARVGEEEECSRQMQT
EKKRLQQHIQELEAHLEAEEGARQKLQLEKVTTEAKMKKFEEDLLLLEDQNSKLSKSGSC
WKIVWPSSHPRQLRRRRRSRASISYGSNMRPQSQTWRDRLRKEEKGRQELEKLKRRLDGE
SSELQEQMVEQQQRAEELRAQLGRKEEELQAALARAEDEGGARAQLLKSLREAQAALAEA
QEDLESERVARTKAEKQRRDLGEELEALRGELEDTLDSTNAQQELRSKREQEVTELKKTL
EEETRIHEAAVQELRQRHGQALGELAEQLEQARRGKGAWEKTRLALEAEVSELRAELSSL
QTARQEGEQRRRRLELQLQEVQGRAGDGERARAEAAEKLQRAQAELENVSGALNEAESKT
IRLSKELSSTEAQLHDAQELLQEETRAKLALGSRVRAMEAEAAGLREQLEEEAAARERAG
RELQTAQAQLSEWRRRQEEEAGALEAGEEARRRAAREAEALTQRLAEKTETVDRLERGRR
RLQQELDDATMDLEQQRQLVSTLEKKQRKFDQLLAEEKAAVLRAVEERERAEAEGREREA
RALSLTRALEEEQEAREELERQNRALRAELEALLSSKDDVGKSVHELERACRVAEQAAND
LRAQVTELEDELTAAEDAKLRLEVTVQALKTQHERDLQGRDEAGEERRRQLAKQLRDAEV
ERDEERKQRTLAVAARKKLEGELEELKAQMASAGQGKEEAVKQLRKMQAQMKELWREVEE
TRTSREEIFSQNRESEKRLKGLEAEVLRLQEELAASDRARRQAQQDRDEMADEVANGNLS
KAAILEEKRQLEGRLGQLEEELEEEQSNSELLNDRYRKLLLQVESLTTELSAERSFSAKA
ESGRQQLERQIQELRGRLGEEDAGARARHKMTIAALESKLAQAEEQLEQETRERILSGKL
VRRAEKRLKEVVLQVEEERRVADQLRDQLEKGNLRVKQLKRQLEEAEEEASRAQAGRRRL
QRELEDVTESAESMNREVTTLRNRLRRGPLTFTTRTVRQVFRLEEGVASDEEAEEAQPGS
GPSPEPEGSPPAHPQ
>5988 bp
ATGGCAGCCGTGACCATGTCGGTGCCCGGGCGGAAGGCGCCCCCCAGGCCGGGCCCAGTG
CCCGAGGCGGCCCAGCCGTTCCTGTTCACGCCCCGCGGGCCCAGCGCGGGTGGCGGGCCT
GGCTCGGGCACCTCCCCGCAGGTGGAGTGGACGGCCCGGCGTCTCGTGTGGGTGCCTTCG
GAGCTTCACGGGTTCGAGGCGGCGGCGCTGCGGGACGAAGGCGAGGAGGAGGCGGAGGTG
GAGCTGGCGGAGAGCGGGAGGCGGCTGCGACTGCCGCGGGACCAGATCCAGCGCATGAAC
CCGCCCAAGTTCAGCAAGGCCGAGGACATGGCCGAGCTGACCTGCCTCAACGAGGCCTCG
GTCCTGCACAACCTCCGGGAGCGGTACTACTCCGGCCTCATCTACACGTACTCCGGCCTT
TTCTGTGTGGTCATCAACCCGTACAAGCAGCTTCCCATCTACACAGAAGCCATTGTGGAG
ATGTACCGGGGCAAGAAGCGCCACGAGGTGCCACCCCACGTGTACGCAGTGACCGAGGGG
GCCTATCGGAGCATGCTGCAGGATCGTGAGGACCAGTCCATTCTCTGCACTGGAGAGTCT
GGAGCTGGGAAGACGGAAAACACCAAGAAGGTCATCCAGTACCTCGCCCACGTGGCATCG
TCTCCAAAGGGCAGGAAGGAGCCGGGTGTCCCCGGTGAGCTGGAGCGGCAGCTGCTTCAG
GCCAACCCCATCCTAGAGGCCTTTGGCAATGCCAAGACAGTGAAGAATGACAACTCCTCC
CGATTCGGCAAATTCATCCGCATCAACTTTGATGTTGCCGGGTACATCGTGGGCGCCAAC
ATTGAGACCTACCTGCTGGAGAAGTCGCGGGCCATCCGCCAGGCCAAGGACGAGTGCAGC
TTCCACATCTTCTACCAGCTGCTGGGGGGCGCTGGAGAGCAGCTCAAAGCCGACCTCCTC
CTCGAGCCCTGCTCCCACTACCGGTTCCTGACCAACGGGCCGTCATCCTCTCCCGGCCAG
GAGCGGGAACTCTTCCAGGAGACGCTGGAGTCGCTGCGGGTCCTGGGATTCAGCCACGAG
GAAATCATCTCCATGCTGCGGATGGTCTCAGCAGTTCTCCAGTTTGGCAACATTGCCTTG
AAGAGAGAACGGAACACCGATCAAGCCACCATGCCTGACAACACAGCTGCACAGAAGCTC
TGCCGCCTCTTGGGACTGGGGGTGACGGATTTCTCCCGAGCCTTGCTCACCCCTCGCATC
AAAGTTGGCCGAGACTATGTGCAGAAAGCCCAGACTAAGGAACAGGCTGACTTCGCGCTG
GAGGCCCTGGCCAAGGCCACCTACGAGCGCCTCTTCCGCTGGCTGGTTCTGCGCCTCAAC
CGGGCCTTGGACCGCAGCCCCCGCCAAGGCGCCTCCTTCCTGGGCATCCTGGACATCGCG
GGCTTTGAGATCTTCCAGCTGAACTCCTTCGAGCAGCTCTGCATCAACTACACCAACGAG
AAGCTGCAGCAGCTCTTCAACCACACCATGTTCGTGCTGGAGCAGGAGGAGTACCAGCGT
GAGGGCATCCCCTGGACCTTCCTCGACTTTGGCCTCGACCTGCAGCCCTGCATCGACCTC
ATCGAGCGGCCGGCCAACCCCCCTGGACTCCTGGCCCTGCTGGATGAGGAGTGCTGGTTC
CCGAAGGCCACAGACAAGTCGTTTGTGGAGAAGGTAGCCCAGGAGCAGGGCGGCCACCCC
AAGTTCCAGCGGCCGAGGCACCTGCGGGATCAGGCCGACTTCAGTGTTCTCCACTACGCG
GGCAAGGTCGACTACAAGGCCAACGAGTGGCTGATGAAAAACATGGACCCTCTGAATGAC
AACGTCGCAGCCTTGCTCCACCAGAGCACAGACCGGCTGACGGCAGAGATCTGGAAAGAC
GTGGAGGGCATCGTGGGGCTGGAACAGGTGAGCAGCCTGGGCGACGGCCCACCAGGTGGC
CGCCCCCGTCGGGGTATGTTCCGGACAGTGGGACAGCTCTACAAGGAGTCCCTGAGCCGC
CTCATGGCCACACTCAGCAACACCAACCCCAGTTTTGTCCGGTGCATTGTCCCCAACCAC
GAGAAGAGGGCCGGGAAGCTGGAGCCACGGCTGGTGCTGGACCAGCTTCGCTGCAACGGG
GTCCTGGAGGGCATCCGCATCTGTCGCCAGGGCTTCCCCAACCGCATCCTCTTCCAGGAG
TTCCGGCAGCGATACGAGATCCTGACACCCAATGCCATCCCCAAGGGCTTCATGGATGGG
AAGCAGGCCTGTGAAAAGATGATCCAGGCGCTGGAACTGGACCCCAACCTCTACCGCGTG
GGACAGAGCAAGATCTTCTTCCGGGCTGGGGTCCTGGCCCAGCTGGAAGAGGAGCGAGAC
CTGAAGGTCACCGACATCATCGTCTCCTTCCAGGCAGCTGCCCGGGGATACCTGGCTCGC
AGGGCCTTCCAGAAGCGCCAGCAGCAGCAGAGCGCCCTGAGGGTGATGCAGCGGAACTGC
GCGGCCTACCTCAAGCTGAGACACTGGCAGTGGTGGCGGCTGTTTACCAAGGTGAAGCCA
CTGCTGCAGGTGACGCGGCAGGATGAGGTGCTGCAGGCACGGGCCCAGGAGCTGCAGAAA
GTGCAGGAGCTACAGCAGCAGAGCGCCCGCGAAGTTGGGGAGCTCCAGGGCCGAGTGGCA
CAGCTGGAAGAGGAGCGCGCCCGCCTGGCAGAGCAATTGCGAGCAGAGGCAGAACTGTGT
GCAGAGGCCGAGGAGACGCGGGGGAGGCTGGCAGCCCGCAAGCAGGAGCTGGAGCTGGTG
GTGTCAGAGCTGGAGGCTCGCGTGGGCGAGGAGGAGGAGTGCAGCCGTCAAATGCAAACC
GAGAAGAAGAGGCTACAGCAGCACATACAGGAGCTAGAGGCCCACCTTGAGGCTGAGGAG
GGTGCGCGGCAGAAGCTGCAGCTGGAGAAGGTGACGACAGAGGCAAAAATGAAGAAATTT
GAAGAGGACCTGCTGCTCCTGGAAGACCAGAATTCCAAGCTGAGCAAGAGCGGAAGCTGC
TGGAAGATCGTCTGGCCGAGTTCTCATCCCAGGCAGCTGAGGAGGAGGAGAAGGTCAAGA
GCCTCAATAAGCTACGGCTCAAATATGAGGCCACAATCGCAGACATGGAGGGACCGCCTA
CGGAAGGAGGAGAAGGGTCGCCAGGAGCTGGAGAAGCTGAAGCGGAGGCTGGATGGGGAG
AGCTCAGAGCTGCAGGAGCAGATGGTGGAGCAGCAACAGCGGGCAGAGGAGCTGCGGGCC
CAGCTGGGCCGGAAGGAGGAGGAGCTGCAGGCTGCCCTGGCCAGGGCAGAAGACGAGGGT
GGGGCCCGGGCCCAGCTGCTGAAATCCCTGCGGGAGGCTCAAGCAGCCCTGGCCGAGGCC
CAGGAGGACCTGGAGTCTGAGCGTGTGGCCAGGACCAAGGCGGAGAAGCAGCGCCGGGAC
CTGGGCGAGGAGCTGGAGGCGCTGCGGGGCGAGCTGGAGGACACGCTGGACTCCACCAAC
GCACAGCAGGAGCTCCGGTCCAAGAGGGAACAGGAGGTGACGGAGCTGAAGAAGACTCTG
GAGGAGGAGACTCGCATCCACGAGGCGGCAGTGCAGGAGCTGAGGCAGCGCCACGGCCAG
GCCCTGGGGGAGCTGGCGGAGCAGCTGGAGCAGGCCCGGAGGGGCAAAGGTGCATGGGAG
AAGACCCGGCTGGCCCTGGAGGCCGAGGTGTCCGAGCTGCGGGCAGAACTGAGCAGCCTG
CAGACTGCACGTCAGGAGGGTGAGCAGCGGAGGCGCCGCCTGGAGTTACAGCTGCAGGAG
GTGCAGGGCCGGGCTGGTGATGGGGAGAGGGCACGAGCGGAGGCTGCTGAGAAGCTGCAG
CGAGCCCAGGCTGAACTGGAGAATGTGTCTGGGGCGCTGAACGAGGCTGAGTCCAAAACC
ATCCGTCTTAGCAAGGAGCTGAGCAGCACAGAAGCCCAGCTGCACGATGCCCAGGAGCTG
CTGCAGGAGGAGACCAGGGCGAAATTGGCCTTGGGGTCCCGGGTGCGAGCCATGGAGGCT
GAGGCAGCCGGGCTGCGTGAGCAGCTGGAGGAGGAGGCAGCTGCCAGGGAACGGGCGGGC
CGTGAACTGCAGACTGCCCAGGCCCAGCTTTCCGAGTGGCGGCGGCGCCAGGAGGAGGAG
GCAGGGGCACTGGAGGCAGGGGAGGAGGCACGGCGCCGGGCAGCCCGGGAGGCCGAGGCC
CTGACCCAGCGCCTGGCAGAAAAGACAGAGACCGTGGATCGGCTGGAGCGGGGCCGCCGC
CGGCTGCAGCAGGAGCTGGACGACGCCACCATGGACCTGGAGCAGCAGCGGCAGCTTGTG
AGCACCCTGGAGAAGAAGCAGCGCAAGTTTGACCAGCTTCTGGCAGAGGAGAAGGCAGCT
GTACTTCGGGCAGTGGAGGAACGTGAGCGGGCCGAGGCAGAGGGCCGGGAGCGTGAGGCT
CGGGCCCTGTCACTGACACGGGCACTGGAGGAGGAGCAGGAGGCACGTGAGGAGCTGGAG
CGGCAGAACCGGGCCCTGCGGGCTGAGCTGGAGGCACTGCTGAGCAGCAAGGATGACGTC
GGCAAGAGCGTGCATGAGCTGGAACGAGCCTGCCGGGTAGCAGAACAGGCAGCCAATGAT
CTGCGAGCACAGGTGACAGAACTGGAGGATGAGCTGACAGCGGCCGAGGATGCCAAGCTG
CGTCTGGAGGTGACTGTGCAGGCTCTCAAGACTCAGCATGAGCGTGACCTGCAGGGCCGT
GATGAGGCTGGTGAAGAGAGGCGGAGGCAGCTGGCCAAGCAGCTGAGAGATGCAGAGGTG
GAGCGGGATGAGGAGCGGAAGCAGCGCACTCTGGCCGTGGCTGCCCGCAAGAAGCTGGAG
GGAGAGCTGGAGGAGCTGAAGGCTCAGATGGCCTCTGCCGGCCAGGGCAAGGAGGAGGCG
GTGAAGCAGCTTCGCAAGATGCAGGCCCAGATGAAGGAGCTATGGCGGGAGGTGGAGGAG
ACACGCACCTCCCGGGAGGAGATCTTCTCCCAGAATCGGGAAAGTGAAAAGCGCCTCAAG
GGCCTGGAGGCTGAGGTGCTGCGGCTGCAGGAGGAACTGGCCGCCTCGGACCGTGCTCGG
CGGCAGGCCCAGCAGGACCGGGATGAGATGGCAGATGAGGTGGCCAATGGTAACCTTAGC
AAGGCAGCCATTCTGGAGGAGAAGCGTCAGCTGGAGGGGCGCCTGGGGCAGTTGGAGGAA
GAGCTGGAGGAGGAGCAGAGCAACTCAGAGCTGCTCAATGACCGCTACCGCAAGCTGCTC
CTGCAGGTAGAGTCACTGACCACAGAGCTGTCAGCTGAGCGCAGTTTCTCAGCCAAGGCA
GAGAGCGGGCGGCAGCAGCTGGAACGGCAGATCCAGGAGCTACGGGGACGCCTGGGTGAG
GAGGATGCTGGGGCCCGTGCCCGCCACAAGATGACCATTGCTGCCCTTGAGTCTAAGTTG
GCCCAGGCTGAGGAGCAGCTAGAGCAAGAGACCAGAGAGCGCATCCTCTCTGGAAAGCTG
GTGCGCAGAGCTGAGAAGCGGCTTAAAGAGGTGGTGCTCCAGGTGGAGGAGGAGCGGAGG
GTGGCTGACCAGCTCCGGGACCAGCTGGAGAAGGGAAACCTTCGAGTCAAGCAGCTGAAG
CGGCAGCTGGAGGAGGCCGAGGAGGAGGCATCCCGGGCTCAGGCTGGCCGCCGGAGGCTG
CAGCGTGAGCTGGAAGATGTCACAGAGTCGGCCGAGTCCATGAACCGTGAAGTGACCACA
CTGAGGAACCGGCTTCGACGCGGCCCCCTCACCTTCACCACCCGCACGGTGCGCCAGGTC
TTCCGACTAGAGGAGGGCGTGGCATCCGACGAGGAGGCAGAGGAAGCACAGCCTGGGTCT
GGGCCATCCCCGGAGCCTGAGGGGTCCCCACCAGCCCACCCCCAGTGA
PF00612
IQ
PF00063
Myosin_head
PF02736
Myosin_N
PF01576
Myosin_tail_1
component
myosin
component
protein complex
function
ATP binding
function
motor activity
function
binding
function
nucleotide binding
function
purine nucleotide binding
function
adenyl nucleotide binding
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object