Details of the Drug

General Information of Drug (ID: DMGTSCP)

Drug Name
JWH-015
Synonyms
JWH-015; 155471-08-2; JWH 015; UNII-W4FL204T10; (2-Methyl-1-propyl-1H-indol-3-yl)-1-naphthalenylmethanone; JWH015; (2-methyl-1-propylindol-3-yl)-naphthalen-1-ylmethanone; CHEMBL306764; W4FL204T10; MFCD02094630; (2-methyl-1-propyl-1H-indol-3-yl)(naphthalen-1-yl)methanone; JHW 015; SR-01000597570; (2-Methyl-1-propylindol-3-yl)(naphthalen-1-yl)methanone; NCGC00025117-01; Tocris-1341; PubChem19328; MLS002153392; SCHEMBL497044; GTPL5558; AC1N784D; BDBM21282; CHEBI:92318; DTXSID60165902; AOB5643; MolPort-003-983-602
Indication
Disease Entry ICD 11 Status REF
Organ transplant rejection NE84 Patented [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 327.4
Logarithm of the Partition Coefficient (xlogp) 5.8
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C23H21NO
IUPAC Name
(2-methyl-1-propylindol-3-yl)-naphthalen-1-ylmethanone
Canonical SMILES
CCCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43)C
InChI
InChI=1S/C23H21NO/c1-3-15-24-16(2)22(20-12-6-7-14-21(20)24)23(25)19-13-8-10-17-9-4-5-11-18(17)19/h4-14H,3,15H2,1-2H3
InChIKey
LJSBBBWQTLXQEN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
4273754
ChEBI ID
CHEMBL306764
CAS Number
155471-08-2
TTD ID
D0YZ8I
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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 Agonist [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Eotaxin (CCL11) OT3BIFPK CCL11_HUMAN Gene/Protein Processing [3]
Mu-type opioid receptor (OPRM1) OT16AAT8 OPRM_HUMAN Gene/Protein Processing [4]
Transforming growth factor beta-1 proprotein (TGFB1) OTV5XHVH TGFB1_HUMAN Gene/Protein Processing [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Organ transplant rejection
ICD Disease Classification NE84
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 Cannabinoid receptor 2 (CB2) agonists and antagonists: a patent update.Expert Opin Ther Pat. 2016 Jul;26(7):843-56.
2 Posttraining activation of CB1 cannabinoid receptors in the CA1 region of the dorsal hippocampus impairs object recognition long-term memory. Neurobiol Learn Mem. 2008 Sep;90(2):374-81.
3 Alcohol and Cannabinoids Differentially Affect HIV Infection and Function of Human Monocyte-Derived Dendritic Cells (MDDC). Front Microbiol. 2015 Dec 22;6:1452. doi: 10.3389/fmicb.2015.01452. eCollection 2015.
4 Cannabinoid receptor type 2 agonists induce transcription of the mu-opioid receptor gene in Jurkat T cells. Mol Pharmacol. 2006 Apr;69(4):1486-91. doi: 10.1124/mol.105.018325. Epub 2006 Jan 24.