General Information of Drug (ID: DMUMJGD)

Drug Name
JWH-295
Synonyms JWH-295; CHEMBL407763
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): 0 Molecular Weight (mw) 246.4
Logarithm of the Partition Coefficient (xlogp) 5
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C17H26O
IUPAC Name
(1R,3R)-3-[4-(2-methylbutan-2-yl)phenyl]cyclohexan-1-ol
Canonical SMILES
CCC(C)(C)C1=CC=C(C=C1)[C@@H]2CCC[C@H](C2)O
InChI
InChI=1S/C17H26O/c1-4-17(2,3)15-10-8-13(9-11-15)14-6-5-7-16(18)12-14/h8-11,14,16,18H,4-7,12H2,1-3H3/t14-,16-/m1/s1
InChIKey
NGNJEMWGXAUJKO-GDBMZVCRSA-N
Cross-matching ID
PubChem CID
44452602
TTD ID
D0G9EU

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cannabinoid receptor 2 (CB2) TTMSFAW CNR2_HUMAN Inhibitor [1]
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
Cannabinoid receptor 2 (CB2) DTT CNR2 3.82E-02 -0.43 -1.18
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Synthesis and pharmacology of 1-deoxy analogs of CP-47,497 and CP-55,940. Bioorg Med Chem. 2008 Jan 1;16(1):322-35.