Details of the Drug

General Information of Drug (ID: DMST2LX)

Drug Name
2-(pyridin-2-yl)-1H-benzo[d]imidazol-5-amine
Synonyms
55396-63-9; CHEMBL199925; 2-(pyridin-2-yl)-1H-1,3-benzodiazol-5-amine; MLS000528495; 2-Pyridin-2-yl-1H-benzoimidazol-5-ylamine; 2-(pyridin-2-yl)-1H-benzo[d]imidazol-5-amine; ITFXYBZUPPBWEC-UHFFFAOYSA-N; SMR000121070; 2-pyridin-2-yl-3H-benzimidazol-5-amine; 1H-Benzimidazol-5-amine, 2-(2-pyridinyl)-; 2-(Pyridin-2-yl)-1H-1,3-benzodiazol-6-amine; AC1LBVAV; 1H-Benzimidazol-6-amine, 2-(2-pyridinyl)-; AC1Q52EP; SCHEMBL8556415; SCHEMBL4371835; cid_542828; BDBM62926; CTK1F6864; DTXSID50337459; MolPort-006-709-925; MolPort-001-815-306
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) 210.23
Logarithm of the Partition Coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C12H10N4
IUPAC Name
2-pyridin-2-yl-3H-benzimidazol-5-amine
Canonical SMILES
C1=CC=NC(=C1)C2=NC3=C(N2)C=C(C=C3)N
InChI
InChI=1S/C12H10N4/c13-8-4-5-9-11(7-8)16-12(15-9)10-3-1-2-6-14-10/h1-7H,13H2,(H,15,16)
InChIKey
ITFXYBZUPPBWEC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
542828
ChEBI ID
CHEMBL199925
CAS Number
55396-63-9
TTD ID
D0L6ZY
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Methionine aminopeptidase 2 (METAP2) TTZL0OI MAP2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Subtype-selectivity of metal-dependent methionine aminopeptidase inhibitors, Bioorg. Med. Chem. Lett. 20(14):4038-4044 (2010).