Details of the Drug

General Information of Drug (ID: DMTG17Q)

Drug Name
[Nphe(1)]-nociceptin (1-13)-NH(2)
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 500.4
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 9
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 10
Chemical Identifiers
Formula
C21H27F2N4O6P
IUPAC Name
N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;2-(phosphonomethylamino)acetic acid
Canonical SMILES
CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC=C2C3CC3C4CC4.C(C(=O)O)NCP(=O)(O)O
InChI
InChI=1S/C18H19F2N3O.C3H8NO5P/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10;5-3(6)1-4-2-10(7,8)9/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24);4H,1-2H2,(H,5,6)(H2,7,8,9)
InChIKey
ZLEQCJLOZSQAHT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24776433
TTD ID
D0U9QL

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Nociceptin receptor (OPRL1) TTNT7K8 OPRX_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
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. (Ligand id: 1695).
2 Nociceptin receptor antagonists display antidepressant-like properties in the mouse forced swimming test. Naunyn Schmiedebergs Arch Pharmacol. 2002 Feb;365(2):164-7.