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]
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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: CHEBI:88297
CAS Number: 51131-85-2
TTD ID: D05FFB

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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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
DNA topoisomerase 2-alpha (TOP2A)	OT6LPS08	TOP2A_HUMAN	Drug Response	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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)

MEA Detail

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.
2	Old drug, new target: ellipticines selectively inhibit RNA polymerase I transcription. J Biol Chem. 2013 Feb 15;288(7):4567-82. doi: 10.1074/jbc.M112.411611. Epub 2013 Jan 4.