Details of the Drug

General Information of Drug (ID: DMTJ3F9)

Drug Name
4-Nitrophenyl 4-Benzylpiperazine-1-carboxylate
Synonyms CHEMBL597700; 4-Nitrophenyl 4-Benzylpiperazine-1-carboxylate; SCHEMBL12794615
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) 341.4
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C18H19N3O4
IUPAC Name
(4-nitrophenyl) 4-benzylpiperazine-1-carboxylate
Canonical SMILES
C1CN(CCN1CC2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H19N3O4/c22-18(25-17-8-6-16(7-9-17)21(23)24)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKey
HNIDATBYDXCKRE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
45104861
TTD ID
D0R5RW

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Fatty acid amide hydrolase (FAAH) TTDP1UC NOUNIPROTAC Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Fatty acid amide hydrolase (FAAH) DTT NO-GeName 2.65E-01 0.02 0.1
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Characterization of tunable piperidine and piperazine carbamates as inhibitors of endocannabinoid hydrolases. J Med Chem. 2010 Feb 25;53(4):1830-42.