General Information of Drug (ID: DMOQJMU)

Drug Name
Piperidinyl triazole derivative 4
Synonyms PMID28699813-Compound-14
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 460
Logarithm of the Partition Coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C26H26ClN5O
IUPAC Name
2-[4-[5-(4-chlorophenyl)-2-pyrimidin-2-ylpyrazol-3-yl]piperidin-1-yl]-1-phenylethanol
Canonical SMILES
C1CN(CCC1C2=CC(=NN2C3=NC=CC=N3)C4=CC=C(C=C4)Cl)CC(C5=CC=CC=C5)O
InChI
InChI=1S/C26H26ClN5O/c27-22-9-7-19(8-10-22)23-17-24(32(30-23)26-28-13-4-14-29-26)20-11-15-31(16-12-20)18-25(33)21-5-2-1-3-6-21/h1-10,13-14,17,20,25,33H,11-12,15-16,18H2
InChIKey
VSNXVFRRZXFFLD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
54597177
TTD ID
D07RIZ

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.