Details of the Drug

General Information of Drug (ID: DMMUE05)

Drug Name
6-Amino-2-(1H-imidazol-4-yl)-hexanoic acid
Synonyms CHEMBL65910; 6-Amino-2-(1H-imidazol-4-yl)-hexanoic acid; SCHEMBL7257200
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): 1 Molecular Weight (mw) 197.23
Logarithm of the Partition Coefficient (xlogp) -2.6
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C9H15N3O2
IUPAC Name
6-amino-2-(1H-imidazol-5-yl)hexanoic acid
Canonical SMILES
C1=C(NC=N1)C(CCCCN)C(=O)O
InChI
InChI=1S/C9H15N3O2/c10-4-2-1-3-7(9(13)14)8-5-11-6-12-8/h5-7H,1-4,10H2,(H,11,12)(H,13,14)
InChIKey
ATNHCKIPIWIEGH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10035600
TTD ID
D00GOD

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Carboxypeptidase B2 (CPB2) TTP18AY CBPB2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Imidazole acetic acid TAFIa inhibitors: SAR studies centered around the basic P(1)(') group. Bioorg Med Chem Lett. 2004 May 3;14(9):2141-5.