Details of the Drug

General Information of Drug (ID: DM23RUZ)

Drug Name

JWH-307

Synonyms

914458-26-7; (5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone; JWH-307; UNII-06QTR14ONW; 06QTR14ONW; CHEMBL216857; [5-(2-Fluorophenyl)-1-pentyl-1H-pyrrol-3-yl](naphthalen-1-yl)methanone; SCHEMBL17464417; CTK8C0835; DTXSID60581542; ZINC34947163; 5343AC; ANW-65338; BDBM50192607; AKOS016005279; AJ-90459; TC-154083; KB-208480; AX8234389; ST24034774; FT-0747021; (5-(2-fluorophenyl)-1-pentylpyrrol-3-yl)-naphthalen-1-ylmethanone; [5-(2-Fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-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)

385.5

Topological Polar Surface Area (xlogp)

6.7

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C26H24FNO
IUPAC Name: [5-(2-fluorophenyl)-1-pentylpyrrol-3-yl]-naphthalen-1-ylmethanone
Canonical SMILES: CCCCCN1C=C(C=C1C2=CC=CC=C2F)C(=O)C3=CC=CC4=CC=CC=C43
InChI: InChI=1S/C26H24FNO/c1-2-3-8-16-28-18-20(17-25(28)23-13-6-7-15-24(23)27)26(29)22-14-9-11-19-10-4-5-12-21(19)22/h4-7,9-15,17-18H,2-3,8,16H2,1H3
InChIKey: WYNZPDDTQGVCLZ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 16049783
CAS Number: 914458-26-7
TTD ID: D02QTB

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 Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

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6	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
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15	Clinical pipeline report, company report or official report of AstraZeneca (2009).
16	Surinabant, a selective cannabinoid receptor type 1 antagonist, inhibits 9-tetrahydrocannabinol-induced central nervous system and heart rate effects in humans.Br J Clin Pharmacol.2013 Jul;76(1):65-77.
17	Clinical pipeline report, company report or official report of Bird Rock Bio.
18	Clinical pipeline report, company report or official report of Affimed Therapeutics.