Details of the Drug

General Information of Drug (ID: DMSPOAT)

Drug Name
2-(4-Phenoxy-phenyl)-1H-benzoimidazol-5-ylamine
Synonyms CHEMBL179383; 2-(4-Phenoxy-phenyl)-1H-benzoimidazol-5-ylamine
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) 301.3
Logarithm of the Partition Coefficient (xlogp) 4.1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C19H15N3O
IUPAC Name
2-(4-phenoxyphenyl)-3H-benzimidazol-5-amine
Canonical SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)N
InChI
InChI=1S/C19H15N3O/c20-14-8-11-17-18(12-14)22-19(21-17)13-6-9-16(10-7-13)23-15-4-2-1-3-5-15/h1-12H,20H2,(H,21,22)
InChIKey
YDXHPXOLZYGIGV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11407345
ChEBI ID
CHEMBL179383
TTD ID
D00MLE
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Serine/threonine-protein kinase Chk2 (RAD53) TT9ABMF CHK2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Checkpoint kinase inhibitors: SAR and radioprotective properties of a series of 2-arylbenzimidazoles. J Med Chem. 2005 Mar 24;48(6):1873-85.