Details of the Drug

General Information of Drug (ID: DMF70IM)

• Drug Name: JWH-207
• Synonyms: JWH-207; UNII-828QKW93YY; 828QKW93YY; CHEMBL187813; 2-(4-chlorophenyl)-1-(2-methyl-1-pentyl-1H-indol-3-yl)ethanone; BDBM50170350; Ethanone, 2-(4-chlorophenyl)-1-(2-methyl-1-pentyl-1H-indol-3-yl); 2-(4-Chloro-phenyl)-1-(2-methyl-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); 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-(4-chlorophenyl)-1-(2-methyl-1-pentylindol-3-yl)ethanone
  Canonical SMILES: CCCCCN1C(=C(C2=CC=CC=C21)C(=O)CC3=CC=C(C=C3)Cl)C
  InChI: InChI=1S/C22H24ClNO/c1-3-4-7-14-24-16(2)22(19-8-5-6-9-20(19)24)21(25)15-17-10-12-18(23)13-11-17/h5-6,8-13H,3-4,7,14-15H2,1-2H3
  InChIKey: ZFTOVDKPJSCPEE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44397533
  CAS Number: 864445-59-0
  TTD ID: D0GD9G

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.