Details of the Drug

General Information of Drug (ID: DM2UJM8)

Drug Name
CCP
Synonyms
N-Pentadecylcyclohexanecarboxamide; CHEMBL190662; Cyclohexanecarboxylic acid pentadecylamide; GTPL5161; MolPort-009-019-076; VMFXYTSKMWPHQH-UHFFFAOYSA-N; N-Pentadecyl-cyclohexanecarboxamide; HMS3650I19; BDBM50171299; 1921AH; ZINC38140992; AKOS027276373; RT-014383; SR-01000946796
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): 2 Molecular Weight (mw) 337.6
Logarithm of the Partition Coefficient (xlogp) 8.8
Rotatable Bond Count (rotbonds) 15
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C22H43NO
IUPAC Name
N-pentadecylcyclohexanecarboxamide
Canonical SMILES
CCCCCCCCCCCCCCCNC(=O)C1CCCCC1
InChI
InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23-22(24)21-18-15-14-16-19-21/h21H,2-20H2,1H3,(H,23,24)
InChIKey
VMFXYTSKMWPHQH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44398718
TTD ID
D0X3AT

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
N-acylethanolamine-hydrolyzing acidamidase (NAAA) TTMN4HY NAAA_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5161).
2 N-cyclohexanecarbonylpentadecylamine: a selective inhibitor of the acid amidase hydrolysing N-acylethanolamines, as a tool to distinguish acid amidase from fatty acid amide hydrolase. Biochem J. 2004Apr 1;379(Pt 1):99-106.