Details of the Drug

General Information of Drug (ID: DMC471Z)

Drug Name
RHC80267
Synonyms RHC 80267; U 57908; RHC-80267
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) 394.5
Logarithm of the Partition Coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 11
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C20H34N4O4
IUPAC Name
(cyclohexylideneamino) N-[6-[(cyclohexylideneamino)oxycarbonylamino]hexyl]carbamate
Canonical SMILES
C1CCC(=NOC(=O)NCCCCCCNC(=O)ON=C2CCCCC2)CC1
InChI
InChI=1S/C20H34N4O4/c25-19(27-23-17-11-5-3-6-12-17)21-15-9-1-2-10-16-22-20(26)28-24-18-13-7-4-8-14-18/h1-16H2,(H,21,25)(H,22,26)
InChIKey
RXSVYGIGWRDVQC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5063
ChEBI ID
CHEMBL158897
CAS Number
83654-05-1
TTD ID
D05LXG
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Diacylglycerol lipase alpha (DAGLA) TTRQ6UD DGLA_HUMAN Inhibitor [2]
Diacylglycerol lipase beta (DAGLB) TTXZDEN DGLB_HUMAN Inhibitor [3]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Fatty-acid amide hydrolase 1 (FAAH) OT9DX3N1 FAAH1_HUMAN Gene/Protein Processing [4]
Phosphatidylserine lipase ABHD16A (ABHD16A) OTDS9K1Z ABHGA_HUMAN Gene/Protein Processing [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction 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: 5255).
2 Assay and inhibition of diacylglycerol lipase activity. Bioorg Med Chem Lett. 2012 Jul 15;22(14):4585-92.
3 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: 1397).
4 Selectivity of inhibitors of endocannabinoid biosynthesis evaluated by activity-based protein profiling. Bioorg Med Chem Lett. 2008 Nov 15;18(22):5838-41.