Details of the Drug

General Information of Drug (ID: DMPN3Q0)

• Drug Name: SR-14136
• Synonyms: ORL1 ligands (pain); SR-14148; SR-14150; SR-14159; SR-16430; SR-16435; SR-16506; SR-16507; SR-16835; NOP receptor modulators (pain), SRI; ORL1 ligands (pain), SRI; Nociceptin/orphanin FQ modulators (pain), SRI

Indication

Disease Entry	ICD 11	Status	REF
Pain	MG30-MG3Z	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 347.5
  Logarithm of the Partition Coefficient (xlogp); 3.8
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C22H25N3O
  IUPAC Name: 3-[(2R,6S,9aR)-6-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-1H-benzimidazol-2-one
  Canonical SMILES: C1C[C@@H]2C[C@@H](CCN2[C@@H](C1)C3=CC=CC=C3)N4C5=CC=CC=C5NC4=O
  InChI: InChI=1S/C22H25N3O/c26-22-23-19-10-4-5-11-21(19)25(22)18-13-14-24-17(15-18)9-6-12-20(24)16-7-2-1-3-8-16/h1-5,7-8,10-11,17-18,20H,6,9,12-15H2,(H,23,26)/t17-,18-,20+/m1/s1
  InChIKey: KMUYAJQKQQUKSQ-GGPKGHCWSA-N
• Cross-matching ID:
  PubChem CID: 10066285
  ChEBI ID: CHEMBL51972
  TTD ID: D0L8YY
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nociceptin receptor (OPRL1)	TTNT7K8	OPRX_HUMAN	Binder	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Pain
• ICD Disease Classification: MG30-MG3Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Nociceptin receptor (OPRL1)	DTT	OPRL1	1.75E-01	0.05	0.25

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. (Target id: 320).