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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL374982
CAS Number
914458-20-1
TTD ID
D0S2ZR
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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]
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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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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.