Details of the Drug

General Information of Drug (ID: DMA1NL9)

Drug Name
ONO-AP-324
Synonyms ONO AP 324
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): 1 Molecular Weight (mw) 439.5
Logarithm of the Partition Coefficient (xlogp) 5.4
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C28H25NO4
IUPAC Name
2-[5-[3-(benzhydrylamino)-3-oxopropyl]naphthalen-1-yl]oxyacetic acid
Canonical SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CCC3=C4C=CC=C(C4=CC=C3)OCC(=O)O
InChI
InChI=1S/C28H25NO4/c30-26(29-28(21-9-3-1-4-10-21)22-11-5-2-6-12-22)18-17-20-13-7-15-24-23(20)14-8-16-25(24)33-19-27(31)32/h1-16,28H,17-19H2,(H,29,30)(H,31,32)
InChIKey
YAPFKFDLARVWDB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9867828
TTD ID
D0VR8J

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Prostaglandin E2 receptor EP3 (PTGER3) TTPNGDE PE2R3_HUMAN Agonist [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
Prostaglandin E2 receptor EP3 (PTGER3) DTT PTGER3 4.36E-01 7.51E-03 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: 5821).
2 Characterization of a prostanoid EP3-receptor in guinea-pig aorta: partial agonist action of the non-prostanoid ONO-AP-324. Br J Pharmacol. 1998 Nov;125(6):1288-96.