Details of the Drug

General Information of Drug (ID: DMNRXJU)

Drug Name
JWH-296
Synonyms JWH-296; CHEMBL408060
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 (mw) 260.399
Logarithm of the Partition Coefficient (xlogp) 5.2
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C18H28O
IUPAC Name
(1R,3S)-3-[4-(2-methylpentan-2-yl)phenyl]cyclohexan-1-ol
Canonical SMILES
CCCC(C)(C)C1=CC=C(C=C1)[C@H]2CCC[C@H](C2)O
InChI
InChI=1S/C18H28O/c1-4-12-18(2,3)16-10-8-14(9-11-16)15-6-5-7-17(19)13-15/h8-11,15,17,19H,4-7,12-13H2,1-3H3/t15-,17+/m0/s1
InChIKey
IWAZRTQOOAVKDN-DOTOQJQBSA-N
Cross-matching ID
PubChem CID
44452670
TTD ID
D0Q4YR

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.