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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 of AB-FUBINACA

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
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.

Originator

Curator's Comment: It was originally developed by Pfizer in 2009 as an potential therapeutic agent, but was never pursued for human use. # Pfizer Inc.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
2.1 nM [EC50]
0.9 nM [Ki]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Pharmacology of Indole and Indazole Synthetic Cannabinoid Designer Drugs AB-FUBINACA, ADB-FUBINACA, AB-PINACA, ADB-PINACA, 5F-AB-PINACA, 5F-ADB-PINACA, ADBICA, and 5F-ADBICA.
2015 Sep 16
Patents

Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
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 UTC 2023
Edited
by admin
on Sat Dec 16 10:16:51 UTC 2023
Record UNII
I7PZF0KTFK
Record Status Validated (UNII)
Record Version
  • Download
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
Created by admin on Sat Dec 16 10:16:51 UTC 2023 , Edited by admin on Sat Dec 16 10:16:51 UTC 2023
DEA NO. 7012
Created by admin on Sat Dec 16 10:16:51 UTC 2023 , Edited by admin on Sat Dec 16 10:16:51 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID70728845
Created by admin on Sat Dec 16 10:16:51 UTC 2023 , Edited by admin on Sat Dec 16 10:16:51 UTC 2023
PRIMARY
PUBCHEM
58124325
Created by admin on Sat Dec 16 10:16:51 UTC 2023 , Edited by admin on Sat Dec 16 10:16:51 UTC 2023
PRIMARY
SMS_ID
100000173990
Created by admin on Sat Dec 16 10:16:51 UTC 2023 , Edited by admin on Sat Dec 16 10:16:51 UTC 2023
PRIMARY
CAS
1185282-01-2
Created by admin on Sat Dec 16 10:16:51 UTC 2023 , Edited by admin on Sat Dec 16 10:16:51 UTC 2023
PRIMARY
WIKIPEDIA
AB-FUBINACA
Created by admin on Sat Dec 16 10:16:51 UTC 2023 , Edited by admin on Sat Dec 16 10:16:51 UTC 2023
PRIMARY
CAS
1629062-56-1
Created by admin on Sat Dec 16 10:16:51 UTC 2023 , Edited by admin on Sat Dec 16 10:16:51 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
I7PZF0KTFK
Created by admin on Sat Dec 16 10:16:51 UTC 2023 , Edited by admin on Sat Dec 16 10:16:51 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
EC50
TARGET -> AGONIST
EC50
Related Record Type Details
METABOLITE -> PARENT
Related Record Type Details
ACTIVE MOIETY