Details of the Drug

General Information of Drug (ID: DM0MK6D)

Drug Name

BIS-IMIDE A

Synonyms

CHEMBL388648; BIS-IMIDE A; SCHEMBL5879127; BDBM50220067; 9H-Carbazole-1,2:3,4-bisdicarbimide

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)

305.24

Logarithm of the Partition Coefficient (xlogp)

1

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C16H7N3O4
IUPAC Name: 4,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,6,11,13,15,17-hexaene-3,5,8,10-tetrone
Canonical SMILES: C1=CC=C2C(=C1)C3=C4C(=C5C(=C3N2)C(=O)NC5=O)C(=O)NC4=O
InChI: InChI=1S/C16H7N3O4/c20-13-8-7-5-3-1-2-4-6(5)17-12(7)11-10(9(8)14(21)18-13)15(22)19-16(11)23/h1-4,17H,(H,18,20,21)(H,19,22,23)
InChIKey: IZHSJTMCSHXFHX-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

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
Checkpoint kinase-1 (CHK1)	DTT	CHEK1	7.22E-191	1.43	4.74

Molecular Expression Atlas (MEA)

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References

1	Synthesis, in vitro antiproliferative activities, and Chk1 inhibitory properties of pyrrolo[3,4-a]carbazole-1,3-diones, pyrrolo[3,4-c]carbazole-1,3... Eur J Med Chem. 2008 Feb;43(2):282-92.