Details of the Drug

General Information of Drug (ID: DMLABGW)

• Drug Name: JWH-311
• Synonyms: JWH-311; CHEMBL187883; BDBM50170331; 2-(2-fluorophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone

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); 323.4
  Logarithm of the Partition Coefficient (xlogp); 5.1
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C21H22FNO
  IUPAC Name: 2-(2-fluorophenyl)-1-(1-pentylindol-3-yl)ethanone
  Canonical SMILES: CCCCCN1C=C(C2=CC=CC=C21)C(=O)CC3=CC=CC=C3F
  InChI: InChI=1S/C21H22FNO/c1-2-3-8-13-23-15-18(17-10-5-7-12-20(17)23)21(24)14-16-9-4-6-11-19(16)22/h4-7,9-12,15H,2-3,8,13-14H2,1H3
  InChIKey: RLINGXSUWCVHIQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44397516
  TTD ID: D02UEJ

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] 1-Pentyl-3-phenylacetylindoles, a new class of cannabimimetic indoles. Bioorg Med Chem Lett. 2005 Sep 15;15(18):4110-3.