Details of the Drug

General Information of Drug (ID: DMCLAHR)

• Drug Name: JWH-303
• Synonyms: JWH-303; UNII-ZW7N2KTX23; ZW7N2KTX23; CHEMBL188910; 2-(3-chlorophenyl)-1-(2-methyl-1-pentyl-1H-indol-3-yl)ethanone; BDBM50170355; 2-(3-Chloro-phenyl)-1-(2-methyl-1-pentyl-1H-indol-3-yl)-ethanone; Ethanone, 2-(3-chlorophenyl)-1-(2-methyl-1-pentyl-1H-indol-3-yl)-

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); 353.9
  Logarithm of the Partition Coefficient (xlogp); 6
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C22H24ClNO
  IUPAC Name: 2-(3-chlorophenyl)-1-(2-methyl-1-pentylindol-3-yl)ethanone
  Canonical SMILES: CCCCCN1C(=C(C2=CC=CC=C21)C(=O)CC3=CC(=CC=C3)Cl)C
  InChI: InChI=1S/C22H24ClNO/c1-3-4-7-13-24-16(2)22(19-11-5-6-12-20(19)24)21(25)15-17-9-8-10-18(23)14-17/h5-6,8-12,14H,3-4,7,13,15H2,1-2H3
  InChIKey: IVDPZBGEPKPWGK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44397333
  CAS Number: 864445-57-8
  TTD ID: D03DDL

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.