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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H12F6N2O
Molecular Weight 338.2488
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VK-5211

SMILES

C1C[C@]([H])([C@]([H])(C(F)(F)F)O)N(C1)c2ccc(C#N)c(c2)C(F)(F)F

InChI

InChIKey=OPSIVAKKLQRWKC-VXGBXAGGSA-N
InChI=1S/C14H12F6N2O/c15-13(16,17)10-6-9(4-3-8(10)7-21)22-5-1-2-11(22)12(23)14(18,19)20/h3-4,6,11-12,23H,1-2,5H2/t11-,12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H12F6N2O
Molecular Weight 338.2488
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Substance Class Chemical
Created
by admin
on Sat Jun 26 06:28:25 UTC 2021
Edited
by admin
on Sat Jun 26 06:28:25 UTC 2021
Record UNII
1EJT54415A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VK-5211
Common Name English
BENZONITRILE, 4-((2R)-2-((1R)-2,2,2-TRIFLUORO-1-HYDROXYETHYL)-1-PYRROLIDINYL)-2-(TRIFLUOROMETHYL)-
Systematic Name English
LIGANDROL
Common Name English
VK5211
Common Name English
LGD-4033
Common Name English
LIGANDROL [NFLIS-DRUG]
Common Name English
Classification Tree Code System Code
DSLD 3984 (Number of products:18)
Created by admin on Sat Jun 26 06:28:25 UTC 2021 , Edited by admin on Sat Jun 26 06:28:25 UTC 2021
Code System Code Type Description
WIKIPEDIA
LGD-4033
Created by admin on Sat Jun 26 06:28:25 UTC 2021 , Edited by admin on Sat Jun 26 06:28:25 UTC 2021
PRIMARY
DRUG BANK
DB13934
Created by admin on Sat Jun 26 06:28:25 UTC 2021 , Edited by admin on Sat Jun 26 06:28:25 UTC 2021
PRIMARY
PUBCHEM
44137686
Created by admin on Sat Jun 26 06:28:25 UTC 2021 , Edited by admin on Sat Jun 26 06:28:25 UTC 2021
PRIMARY
EPA CompTox
1165910-22-4
Created by admin on Sat Jun 26 06:28:25 UTC 2021 , Edited by admin on Sat Jun 26 06:28:25 UTC 2021
PRIMARY
CAS
1165910-22-4
Created by admin on Sat Jun 26 06:28:25 UTC 2021 , Edited by admin on Sat Jun 26 06:28:25 UTC 2021
PRIMARY
ChEMBL
CHEMBL3545356
Created by admin on Sat Jun 26 06:28:25 UTC 2021 , Edited by admin on Sat Jun 26 06:28:25 UTC 2021
PRIMARY
FDA UNII
1EJT54415A
Created by admin on Sat Jun 26 06:28:25 UTC 2021 , Edited by admin on Sat Jun 26 06:28:25 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY