Details of the Drug

General Information of Drug (ID: DMDYZE5)

Drug Name
PMID19954973C4
Synonyms GTPL8623; BDBM50305346
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 275.3
Logarithm of the Partition Coefficient (xlogp) -1.8
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C14H17N3O3
IUPAC Name
(2S)-2-(2-aminoethoxy)-3-(1-phenylimidazol-4-yl)propanoic acid
Canonical SMILES
C1=CC=C(C=C1)N2C=C(N=C2)C[C@@H](C(=O)O)OCCN
InChI
InChI=1S/C14H17N3O3/c15-6-7-20-13(14(18)19)8-11-9-17(10-16-11)12-4-2-1-3-5-12/h1-5,9-10,13H,6-8,15H2,(H,18,19)/t13-/m0/s1
InChIKey
LVCATUGNENEDGZ-ZDUSSCGKSA-N
Cross-matching ID
PubChem CID
10286113
TTD ID
D0O3QJ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Carboxypeptidase B1 (CPB1) TT4UJX5 CBPB1_HUMAN Inhibitor [1]
Carboxypeptidase B2 (CPB2) TTP18AY CBPB2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Oxygenated analogues of UK-396082 as inhibitors of activated thrombin activatable fibrinolysis inhibitor. Bioorg Med Chem Lett. 2010 Jan 1;20(1):92-6.