AB-FUBINACA

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H21FN4O2
Molecular Weight	368.4047
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)[C@H](NC(=O)C1=NN(CC2=CC=C(F)C=C2)C3=C1C=CC=C3)C(N)=O

InChI

InChIKey=AKOOIMKXADOPDA-KRWDZBQOSA-N

InChI=1S/C20H21FN4O2/c1-12(2)17(19(22)26)23-20(27)18-15-5-3-4-6-16(15)25(24-18)11-13-7-9-14(21)10-8-13/h3-10,12,17H,11H2,1-2H3,(H2,22,26)(H,23,27)/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H21FN4O2
Molecular Weight	368.4047
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/26134475
Curator's Comment: description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/27632803

AB‐FUBINACA is a synthetic cannabinoid and it is a very potent agonist for the cannabinoid (CB1) receptor. AB-FUBINACA is designated as a Schedule I controlled substance in the United States.

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Cannabinoid CB1 receptor 85 Target ID: CHEMBL218 Sources: https://www.ncbi.nlm.nih.gov/pubmed/28608697	Agonist 2678		2.1 nM [EC50]
Cannabinoid CB1 receptor 85 Target ID: CHEMBL218 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26134475	Agonist 2678		0.9 nM [Ki]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2578

PubMed

Title	Date	PubMed
UPLC/ESI-MS/MS-based determination of metabolism of several new illicit drugs, ADB-FUBINACA, AB-FUBINACA, AB-PINACA, QUPIC, 5F-QUPIC and α-PVT, by human liver microsome.	2014 Jun	24861751
Synthetic cannabimimetic agents metabolized by carboxylesterases.	2015 Jul	25346527

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

AB‐FUBINACA is a very potent ligand for the cannabinoid (CB1) receptor, with a Ki of 0.9 nM and an EC50 of 23.2 nM for receptor activation as measured by GTPgammaS hydrolysis.

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:16:51 GMT 2023` Edited by `admin` on `Sat Dec 16 10:16:51 GMT 2023`
Record UNII	I7PZF0KTFK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AB-FUBINACA

Common Name

English

N-((1S)-1-(AMINOCARBONYL)-2-METHYLPROPYL)-1-((4-FLUOROPHENYL)METHYL)-1H-INDAZOLE-3-CARBOXAMIDE

Systematic Name

English

DEA NO. 7012

Code

English

1H-INDAZOLE-3-CARBOXAMIDE, N-((1S)-1-(AMINOCARBONYL)-2-METHYLPROPYL)-1-((4-FLUOROPHENYL)METHYL)-

Systematic Name

English

Classification Tree Code System Code

WIKIPEDIA

Designer-drugs-AB-FUBINACA