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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H27N3O
Molecular Weight 349.4693
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of A-331440

SMILES

CN(C)[C@@H]1CCN(CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)C1

InChI

InChIKey=FXIPXWLVYIHFEP-OAQYLSRUSA-N
InChI=1S/C22H27N3O/c1-24(2)21-12-14-25(17-21)13-3-15-26-22-10-8-20(9-11-22)19-6-4-18(16-23)5-7-19/h4-11,21H,3,12-15,17H2,1-2H3/t21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H27N3O
Molecular Weight 349.4693
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
22.7 nM [Ki]
PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:34:41 GMT 2023
Edited
by admin
on Sat Dec 16 08:34:41 GMT 2023
Record UNII
45WZM2FLYQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
A-331440
Common Name English
(1,1'-BIPHENYL)-4-CARBONITRILE, 4'-(3-((3R)-3-(DIMETHYLAMINO)-1-PYRROLIDINYL)PROPOXY)-
Systematic Name English
4'-(3-((3R)-3-(DIMETHYLAMINO)PYRROLIDINYL)PROPOXY)(1,1'-BIPHENYL)-4-CARBONITRILE
Systematic Name English
Code System Code Type Description
FDA UNII
45WZM2FLYQ
Created by admin on Sat Dec 16 08:34:41 GMT 2023 , Edited by admin on Sat Dec 16 08:34:41 GMT 2023
PRIMARY
PUBCHEM
9884746
Created by admin on Sat Dec 16 08:34:41 GMT 2023 , Edited by admin on Sat Dec 16 08:34:41 GMT 2023
PRIMARY
CAS
392338-13-5
Created by admin on Sat Dec 16 08:34:41 GMT 2023 , Edited by admin on Sat Dec 16 08:34:41 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY