Details of the Drug

General Information of Drug (ID: DMHOUSR)

Drug Name
SCH-221510
Synonyms
SCH-225288; SCH-655842; Nociceptin receptor ligands (pain/anxiety/cough/urinary incontinence); NOP agonists (pain, anxiety, cough, urinary incontinence), Merck & Co; NOP receptor ligands (pain/anxiety/cough/urinary incontinence), Schering-Plough; Nociceptin opioid peptide receptor ligands (pain/anxiety/cough/urinary incontinence), Schering-Plough; Nociceptin receptor ligands (pain/anxiety/cough/urinary incontinence), Merck & Co; Nociceptin receptor ligands (pain/anxiety/cough/urinary incontinence),Schering-Plough; ORL1 receptor ligands (pain/anxiety/cough/urinary incontinence), Schering-Plough; Opioid receptor-like 1 receptor ligands (pain/anxiety/cough/urinary incontinence), Schering-Plough
Indication
Disease Entry ICD 11 Status REF
Anxiety disorder 6B00-6B0Z Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 397.6
Logarithm of the Partition Coefficient (xlogp) 6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C28H31NO
IUPAC Name
8-[bis(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
Canonical SMILES
CC1=CC=CC=C1C(C2=CC=CC=C2C)N3C4CCC3CC(C4)(C5=CC=CC=C5)O
InChI
InChI=1S/C28H31NO/c1-20-10-6-8-14-25(20)27(26-15-9-7-11-21(26)2)29-23-16-17-24(29)19-28(30,18-23)22-12-4-3-5-13-22/h3-15,23-24,27,30H,16-19H2,1-2H3
InChIKey
LOSJNRBXNQTUNT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9887077
ChEBI ID
CHEMBL513136
CAS Number
322473-89-2
TTD ID
D0SE9S
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 Agonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Anxiety disorder
ICD Disease Classification 6B00-6B0Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Nociceptin receptor (OPRL1) DTT OPRL1 1.75E-01 0.05 0.25
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. (Target id: 320).