Details of the Drug

General Information of Drug (ID: DMDW267)

Drug Name

9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole

Synonyms

9-Methoxyellipticine; Methoxyelliptione; Methoxyellipticine; 9-Methoxyellipticin; 9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole; 10371-86-5; ICI 180 base; Ellipticine, 9-methoxy-; AT 181; ICIG 772; NSC69187; NSC 69187; B 656501 K003; 9-Methoxy-Ellipticine; UNII-U0924292N9; EINECS 233-812-0; BRN 0279742; 9-Methoxy-5,11-dimethyl-6H-pyrido(4,3-b)carbazole; CHEMBL19954; MLS000736760; C18H16N2O; BKRMCDAOAQWNTG-UHFFFAOYSA-N; NSC-69187; 6H-Pyrido[4,3-b]carbazole, 9-methoxy-5,11-dimethyl-; 6H-Pyrido(4,3-b)carbazole, 5,11-dimethyl-9-me

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)

276.3

Logarithm of the Partition Coefficient (xlogp)

4.8

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C18H16N2O
IUPAC Name: 9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole
Canonical SMILES: CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)OC)C
InChI: InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3
InChIKey: BKRMCDAOAQWNTG-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 72512
CAS Number: 10371-86-5
TTD ID: D0T4SL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tyrosine-protein kinase Kit (KIT)	TTX41N9	KIT_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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

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.