Details of the Drug

General Information of Drug (ID: DMK9P7S)

Drug Name
Imidazole derivative 8
Synonyms PMID28699813-Compound-16
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 444
Logarithm of the Partition Coefficient (xlogp) 4.9
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C26H26ClN5
IUPAC Name
2-[2-(4-chlorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-4-yl]pyrimidine
Canonical SMILES
C1CN(CCC1C2=C(N=C(N2)C3=CC=C(C=C3)Cl)C4=NC=CC=N4)CCC5=CC=CC=C5
InChI
InChI=1S/C26H26ClN5/c27-22-9-7-21(8-10-22)25-30-23(24(31-25)26-28-14-4-15-29-26)20-12-17-32(18-13-20)16-11-19-5-2-1-3-6-19/h1-10,14-15,20H,11-13,16-18H2,(H,30,31)
InChIKey
CQQKTUASFMHQMA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
54670731
ChEBI ID
CHEMBL3677679
TTD ID
D0L6CM
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Prolylcarboxypeptidase (PRCP) TTTJZ4M PCP_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Prolylcarboxypeptidase (PrCP) inhibitors and the therapeutic uses thereof: a patent review.Expert Opin Ther Pat. 2017 Oct;27(10):1077-1088.