Details of the Drug

General Information of Drug (ID: DMA28OL)

Drug Name

8-methyl-4H,7H-indolo[6,5,4-cd]indol-5-one

Synonyms

CHEMBL388936; 8-methyl-4H,7H-indolo[6,5,4-cd]indol-5-one

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)

222.24

Logarithm of the Partition Coefficient (xlogp)

2.6

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C14H10N2O
IUPAC Name: 4-methyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,7,11,13-hexaen-9-one
Canonical SMILES: CC1=CC2=C(N1)C=C3C4=C2C=CC=C4NC3=O
InChI: InChI=1S/C14H10N2O/c1-7-5-9-8-3-2-4-11-13(8)10(14(17)16-11)6-12(9)15-7/h2-6,15H,1H3,(H,16,17)
InChIKey: ACTSTIBGWRUXHI-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Vascular endothelial growth factor receptor 2 (KDR)	TTUTJGQ	VGFR2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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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
Vascular endothelial growth factor receptor 2 (KDR)	DTT	KDR	1.98E-01	0.11	0.2

Molecular Expression Atlas (MEA)

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References

1	Pharmacophore modeling and in silico screening for new KDR kinase inhibitors. Bioorg Med Chem Lett. 2007 Apr 15;17(8):2126-33.