Details of the Drug

General Information of Drug (ID: DMGPN61)

• Drug Name: JWH-151
• Synonyms: JWH-151; CHEMBL522550; SCHEMBL6330271; BDBM50265754; 1-propyl-2-methyl-3-(6-methoxy-1-naphthoyl)indole

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 357.4
  Logarithm of the Partition Coefficient (xlogp); 5.8
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C24H23NO2
  IUPAC Name: (6-methoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
  Canonical SMILES: CCCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=C3C=CC(=C4)OC)C
  InChI: InChI=1S/C24H23NO2/c1-4-14-25-16(2)23(21-9-5-6-11-22(21)25)24(26)20-10-7-8-17-15-18(27-3)12-13-19(17)20/h5-13,15H,4,14H2,1-3H3
  InChIKey: PJQIBVPPWAUFQB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11233636
  TTD ID: D0F3CH

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 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

References

• [1] Discovery of novel CB2 receptor ligands by a pharmacophore-based virtual screening workflow. J Med Chem. 2009 Jan 22;52(2):369-78.