Details of the Drug

General Information of Drug (ID: DMEJ8YA)

Drug Name
JWH-203
Synonyms
JWH-203; 864445-54-5; 2-(2-Chlorophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone; UNII-52CP80V8FY; 1-Pentyl-3-(2-chlorophenylacetyl)indole; JWH 203; CHEMBL189035; 52CP80V8FY; 2-(2-chlorophenyl)-1-(1-pentylindol-3-yl)ethanone; JWH203; DEA No. 7203; SCHEMBL16201543; DTXSID00235557; YDINKDBAZJOSLV-UHFFFAOYSA-N; ZINC28457100; BDBM50170357; AKOS022186463; CCG-208745; AJ-83455; AK146159; AX8283836; KB-220910; ST24039182; FT-0670592; A20550; JWH-203 (1-pentyl-3-(2-chlorophenylacetyl)indole; 2-(2-Chlorophenyl)-1-(1-pentylindol-3-yl)methanone
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) 339.9
Logarithm of the Partition Coefficient (xlogp) 5.6
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C21H22ClNO
IUPAC Name
2-(2-chlorophenyl)-1-(1-pentylindol-3-yl)ethanone
Canonical SMILES
CCCCCN1C=C(C2=CC=CC=C21)C(=O)CC3=CC=CC=C3Cl
InChI
InChI=1S/C21H22ClNO/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
YDINKDBAZJOSLV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44397500
ChEBI ID
CHEMBL189035
CAS Number
864445-54-5
TTD ID
D0M1MQ
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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]
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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 2 (CB2) DTT CNR2 3.82E-02 -0.43 -1.18
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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