Details of the Drug

General Information of Drug (ID: DMEX9GV)

• Drug Name: JWH-147
• Synonyms: JWH-147; 914458-20-1; CHEMBL374982; (1-hexyl-5-phenyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone; SCHEMBL15435604; JWH 147; DTXSID00658823; FRMYAMAGHYHNKF-UHFFFAOYSA-N; JWH-147"; ZINC36294592; BDBM50192588; AKOS015950991; AB1006809; FT-0669208; 1-Hexyl-2-phenyl-4-(1-naphthoyl)pyrroleJWH-147; 1-Hexyl-2-phenyl-4-(1-naphthoyl)pyrrole JWH-147; (1-Hexyl-5-phenyl-1H-pyrrol-3-yl)-1-naphthalenylmethanone

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); 381.5
  Logarithm of the Partition Coefficient (xlogp); 7.2
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C27H27NO
  IUPAC Name: (1-hexyl-5-phenylpyrrol-3-yl)-naphthalen-1-ylmethanone
  Canonical SMILES: CCCCCCN1C=C(C=C1C2=CC=CC=C2)C(=O)C3=CC=CC4=CC=CC=C43
  InChI: InChI=1S/C27H27NO/c1-2-3-4-10-18-28-20-23(19-26(28)22-13-6-5-7-14-22)27(29)25-17-11-15-21-12-8-9-16-24(21)25/h5-9,11-17,19-20H,2-4,10,18H2,1H3
  InChIKey: FRMYAMAGHYHNKF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44418307
  CAS Number: 914458-20-1
  TTD ID: D0S2ZR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cannabinoid receptor 1 (CB1)	TT6OEDT	CNR1_HUMAN	Inhibitor	[1]
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 1 (CB1)	DTT	CNR1	5.59E-02	-0.22	-0.45
Cannabinoid receptor 1 (CB1)	DTT	CNR1	7.68E-01	-0.06	-0.46

References

• [1] 1-Alkyl-2-aryl-4-(1-naphthoyl)pyrroles: new high affinity ligands for the cannabinoid CB1 and CB2 receptors. Bioorg Med Chem Lett. 2006 Oct 15;16(20):5432-5.