U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C11H13NO
Molecular Weight 175.227
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-APB

SMILES

CC(N)CC1=CC2=C(C=CO2)C=C1

InChI

InChIKey=FQDAMYLMQQKPRX-UHFFFAOYSA-N
InChI=1S/C11H13NO/c1-8(12)6-9-2-3-10-4-5-13-11(10)7-9/h2-5,7-8H,6,12H2,1H3

HIDE SMILES / InChI

Molecular Formula C11H13NO
Molecular Weight 175.227
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
6.52 null [pKi]
6.63 null [pKi]
5.26 null [pKi]
3.7 nM [Ki]
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:40:48 GMT 2023
Edited
by admin
on Sat Dec 16 10:40:48 GMT 2023
Record UNII
285VE60914
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-APB
Common Name English
J3.334.441D
Code English
6-(2-AMINOPROPYL)BENZOFURAN
Systematic Name English
6-BENZOFURANETHANAMINE, .ALPHA.-METHYL-
Systematic Name English
1-(BENZOFURAN-6-YL)PROPAN-2-AMINE
Systematic Name English
Classification Tree Code System Code
WIKIPEDIA Designer-drugs-6-APB
Created by admin on Sat Dec 16 10:40:48 GMT 2023 , Edited by admin on Sat Dec 16 10:40:48 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID40101010
Created by admin on Sat Dec 16 10:40:48 GMT 2023 , Edited by admin on Sat Dec 16 10:40:48 GMT 2023
PRIMARY
CAS
286834-85-3
Created by admin on Sat Dec 16 10:40:48 GMT 2023 , Edited by admin on Sat Dec 16 10:40:48 GMT 2023
PRIMARY
WIKIPEDIA
6-APB
Created by admin on Sat Dec 16 10:40:48 GMT 2023 , Edited by admin on Sat Dec 16 10:40:48 GMT 2023
PRIMARY
SMS_ID
300000045216
Created by admin on Sat Dec 16 10:40:48 GMT 2023 , Edited by admin on Sat Dec 16 10:40:48 GMT 2023
PRIMARY
PUBCHEM
9794343
Created by admin on Sat Dec 16 10:40:48 GMT 2023 , Edited by admin on Sat Dec 16 10:40:48 GMT 2023
PRIMARY
FDA UNII
285VE60914
Created by admin on Sat Dec 16 10:40:48 GMT 2023 , Edited by admin on Sat Dec 16 10:40:48 GMT 2023
PRIMARY
Related Record Type Details
TARGET->ACTIVATOR OF RELEASE
TARGET -> INHIBITOR
IC50
TARGET -> INHIBITOR
IC50
TARGET -> AGONIST
A full agonist.
Ki
SALT/SOLVATE -> PARENT
TARGET->ACTIVATOR OF RELEASE
TARGET->WEAK INHIBITOR
IC50
TARGET->ACTIVATOR OF RELEASE
Related Record Type Details
ACTIVE MOIETY