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
• #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: CHEBI:92318
  CAS Number: 155471-08-2
  TTD ID: D0YZ8I

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
Cannabinoid receptor 1 (CNR1)	OTEALO6G	CNR1_HUMAN	Gene/Protein Processing	[3]
Cannabinoid receptor 2 (CNR2)	OTYP9P43	CNR2_HUMAN	Protein Interaction/Cellular Processes	[4]
Eotaxin (CCL11)	OT3BIFPK	CCL11_HUMAN	Gene/Protein Processing	[5]
Interleukin-11 (IL11)	OTXHN86R	IL11_HUMAN	Gene/Protein Processing	[5]
Interleukin-4 (IL4)	OTOXBWAU	IL4_HUMAN	Gene/Protein Processing	[3]
Macrophage colony-stimulating factor 1 (CSF1)	OT68M7RD	CSF1_HUMAN	Gene/Protein Processing	[5]
Mu-type opioid receptor (OPRM1)	OT16AAT8	OPRM_HUMAN	Gene/Protein Processing	[6]
Platelet-derived growth factor subunit B (PDGFB)	OTMFMFC3	PDGFB_HUMAN	Gene/Protein Processing	[5]
Polyunsaturated fatty acid 5-lipoxygenase (ALOX5)	OT7FOIK2	LOX5_HUMAN	Gene/Protein Processing	[7]
Transforming growth factor beta-1 proprotein (TGFB1)	OTV5XHVH	TGFB1_HUMAN	Gene/Protein Processing	[5]

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

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] Transcriptional regulation of the cannabinoid receptor type 1 gene in T cells by cannabinoids. J Leukoc Biol. 2007 Jan;81(1):336-43. doi: 10.1189/jlb.0306224. Epub 2006 Oct 13.
• [4] Cloning and pharmacological characterization of the rat CB(2) cannabinoid receptor. J Pharmacol Exp Ther. 2000 Mar;292(3):886-94.
• [5] 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.
• [6] 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.
• [7] Cannabinoid receptor 2 suppresses leukocyte inflammatory migration by modulating the JNK/c-Jun/Alox5 pathway. J Biol Chem. 2013 May 10;288(19):13551-62.