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Details

Stereochemistry ACHIRAL
Molecular Formula C18H17Cl2NO3
Molecular Weight 366.238
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of A-971432

SMILES

OC(=O)C1CN(CC2=CC=C(OCC3=CC(Cl)=C(Cl)C=C3)C=C2)C1

InChI

InChIKey=WAAWETUDFSIYSD-UHFFFAOYSA-N
InChI=1S/C18H17Cl2NO3/c19-16-6-3-13(7-17(16)20)11-24-15-4-1-12(2-5-15)8-21-9-14(10-21)18(22)23/h1-7,14H,8-11H2,(H,22,23)

HIDE SMILES / InChI

Molecular Formula C18H17Cl2NO3
Molecular Weight 366.238
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: Q9H228
Gene ID: 53637.0
Gene Symbol: S1PR5
Target Organism: Homo sapiens (Human)
6.0 nM [IC50]
Substance Class Chemical
Created
by admin
on Sat Dec 16 17:30:18 UTC 2023
Edited
by admin
on Sat Dec 16 17:30:18 UTC 2023
Record UNII
3QLJ2AZ8GW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
A-971432
Code English
A971432
Code English
1-[[4-[(3,4-Dichlorophenyl)methoxy]phenyl]methyl]-3-azetidinecarboxylic acid
Systematic Name English
3-Azetidinecarboxylic acid, 1-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-
Systematic Name English
Code System Code Type Description
CAS
1240308-45-5
Created by admin on Sat Dec 16 17:30:19 UTC 2023 , Edited by admin on Sat Dec 16 17:30:19 UTC 2023
PRIMARY
EPA CompTox
DTXSID301045800
Created by admin on Sat Dec 16 17:30:19 UTC 2023 , Edited by admin on Sat Dec 16 17:30:19 UTC 2023
PRIMARY
FDA UNII
3QLJ2AZ8GW
Created by admin on Sat Dec 16 17:30:19 UTC 2023 , Edited by admin on Sat Dec 16 17:30:19 UTC 2023
PRIMARY
PUBCHEM
46872626
Created by admin on Sat Dec 16 17:30:19 UTC 2023 , Edited by admin on Sat Dec 16 17:30:19 UTC 2023
PRIMARY
WIKIPEDIA
A-971432
Created by admin on Sat Dec 16 17:30:19 UTC 2023 , Edited by admin on Sat Dec 16 17:30:19 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST