Details of the Drug

General Information of Drug (ID: DMYF7AE)

Drug Name
JCF 109
Synonyms JCF109; JCF-109
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): 1 Molecular Weight (mw) 453.6
Logarithm of the Partition Coefficient (xlogp) 5.4
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C24H27N3O4S
IUPAC Name
N-[[4-[(naphthalen-2-ylamino)methyl]cyclohexyl]methyl]-2-nitrobenzenesulfonamide
Canonical SMILES
C1CC(CCC1CNC2=CC3=CC=CC=C3C=C2)CNS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]
InChI
InChI=1S/C24H27N3O4S/c28-27(29)23-7-3-4-8-24(23)32(30,31)26-17-19-11-9-18(10-12-19)16-25-22-14-13-20-5-1-2-6-21(20)15-22/h1-8,13-15,18-19,25-26H,9-12,16-17H2
InChIKey
BPBPTEVVRMSHTB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
73755001
TTD ID
D09BGI

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Neuropeptide Y receptor type 5 (NPY5R) TTY6EWA NPY5R_HUMAN Antagonist [2]
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
Neuropeptide Y receptor type 5 (NPY5R) DTT NPY5R 7.49E-01 1.19E-02 0.03
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression 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: 1564).
2 Development and characterization of a highly selective neuropeptide Y Y5 receptor agonist radioligand: [125I][hPP1-17, Ala31, Aib32]NPY. Br J Pharmacol. 2003 Aug;139(7):1360-8.