Details of the Drug

General Information of Drug (ID: DM0CSH8)

Drug Name

2-(1H-indazol-3-yl)-1H-benzo[d]imidazole

Synonyms

3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLE; CHEMBL383990; 3-(1H-1,3-benzodiazol-2-yl)-2H-indazole; 2-(2H-indazol-3-yl)-1H-1,3-benzodiazole; IDZ; 1097816-83-5; Indazole Compound 2; 2c3l; AC1Q4XAS; AC1NS1P1; SCHEMBL311148; BDBM16590; 3-benzimidazol-2-yl-1h-indazole; JTKFRFMSUBOCIQ-UHFFFAOYSA-N; MolPort-016-542-829; ZINC14961821; AKOS009356321; NE25942; MCULE-6782886882; DB07959; 2-(1H-indazol-3-yl)-1H-benzimidazole; 3-(1H-benzoimidazol-2-yl)-1H-indazole; 2-(1H-Indazole-3-yl)-1H-benzoimidazole; EN300-70692

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)

234.26

Logarithm of the Partition Coefficient (xlogp)

2.8

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C14H10N4
IUPAC Name: 2-(1H-indazol-3-yl)-1H-benzimidazole
Canonical SMILES: C1=CC=C2C(=C1)C(=NN2)C3=NC4=CC=CC=C4N3
InChI: InChI=1S/C14H10N4/c1-2-6-10-9(5-1)13(18-17-10)14-15-11-7-3-4-8-12(11)16-14/h1-8H,(H,15,16)(H,17,18)
InChIKey: JTKFRFMSUBOCIQ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 135464491
DrugBank ID: DB07959
TTD ID: D0XC6G

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Checkpoint kinase-1 (CHK1)	TTTU902	CHK1_HUMAN	Inhibitor	[1]
Fibroblast growth factor receptor 1 (FGFR1)	TTRLW2X	FGFR1_HUMAN	Inhibitor	[2]
Platelet-derived growth factor receptor beta (PDGFRB)	TTI7421	PGFRB_HUMAN	Inhibitor	[2]
Vascular endothelial growth factor receptor 2 (KDR)	TTUTJGQ	VGFR2_HUMAN	Inhibitor	[2]
VEGFR1 messenger RNA (VEGFR1 mRNA)	TT1VAUK	VGFR1_HUMAN	Inhibitor	[2]

------------------------------------------------------------------------------------

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
Vascular endothelial growth factor receptor 2 (KDR)	DTT	KDR	1.98E-01	0.11	0.2
Fibroblast growth factor receptor 1 (FGFR1)	DTT	FGFR1	4.79E-02	-0.03	-0.15
Platelet-derived growth factor receptor beta (PDGFRB)	DTT	PDGFRB	5.35E-10	0.36	0.89
VEGFR1 messenger RNA (VEGFR1 mRNA)	DTT	FLT1	1.64E-05	0.29	0.51

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
2	Design and structure-activity relationship of 3-benzimidazol-2-yl-1H-indazoles as inhibitors of receptor tyrosine kinases. Bioorg Med Chem Lett. 2006 Jul 1;16(13):3595-9.