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
  TTD ID: D0L8YY

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).