Details of the Drug

General Information of Drug (ID: DMWSLTB)

Drug Name
5,11-Dimethyl-6H-pyrido[4,3-b]carbazol-9-ol
Synonyms
9-Hydroxyellipticine; 9-Hydroxyellipticin; 51131-85-2; 5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol; Hydroxyellipticine; ELLIPTICINE, 9-HYDROXY-; UNII-9G4A3ET6XG; IGIG 929; Hydroxy-9 ellipticine [French]; EINECS 257-000-0; NSC 237070; NSC 210717; 9G4A3ET6XG; CHEMBL26559; CHEBI:88297; C17H14N2O; 5,11-Dimethyl-6H-pyrido(4,3-b)carbazol-9-ol; 6H-Pyrido(4,3-b)carbazol-9-ol, 5,11-dimethyl-; 6H-Pyrido[4,3-b]carbazol-9-ol, 5,11-dimethyl-; 9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole; Hydroxy-9 ellipticine
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 262.3
Logarithm of the Partition Coefficient (xlogp) 4.4
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C17H14N2O
IUPAC Name
5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol
Canonical SMILES
CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)O)C
InChI
InChI=1S/C17H14N2O/c1-9-14-8-18-6-5-12(14)10(2)17-16(9)13-7-11(20)3-4-15(13)19-17/h3-8,19-20H,1-2H3
InChIKey
QZTWUDDGLIDXSE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
91643
ChEBI ID
CHEMBL26559
CAS Number
51131-85-2
TTD ID
D05FFB
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Fibroblast growth factor receptor 3 (FGFR3) TTST7KB FGFR3_HUMAN Inhibitor [1]
Platelet-derived growth factor receptor alpha (PDGFRA) TT8FYO9 PGFRA_HUMAN Inhibitor [1]
Tyrosine-protein kinase Kit (KIT) TTX41N9 KIT_HUMAN Inhibitor [1]
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Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Tyrosine-protein kinase Kit (KIT) DTT KIT 2.06E-01 -0.1 -0.14
Fibroblast growth factor receptor 3 (FGFR3) DTT FGFR3 5.83E-03 0.08 0.1
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Molecular modeling of wild-type and D816V c-Kit inhibition based on ATP-competitive binding of ellipticine derivatives to tyrosine kinases. J Med Chem. 2005 Oct 6;48(20):6194-201.