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], [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 234.26
Topological Polar Surface Area (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
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) 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) Jump to Detail Molecular Expression Atlas of This Drug

References

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