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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H18F5N3O4
Molecular Weight 483.388
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PALUPIPRANT

SMILES

C[C@H](NC(=O)C1=C(OC2=CC(=CC=C2)C(F)(F)F)N(C)N=C1C(F)F)C3=CC=C(C=C3)C(O)=O

InChI

InChIKey=MKLKAQMPKHNQPR-NSHDSACASA-N
InChI=1S/C22H18F5N3O4/c1-11(12-6-8-13(9-7-12)21(32)33)28-19(31)16-17(18(23)24)29-30(2)20(16)34-15-5-3-4-14(10-15)22(25,26)27/h3-11,18H,1-2H3,(H,28,31)(H,32,33)/t11-/m0/s1

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
17.0 nM [Ki]
Name Type Language
PALUPIPRANT
INN  
Official Name English
E 7046 [WHO-DD]
Common Name English
BENZOIC ACID, 4-((1S)-1-(((3-(DIFLUOROMETHYL)-1-METHYL-5-(3-(TRIFLUOROMETHYL)PHENOXY)-1H-PYRAZOL-4-YL)CARBONYL)AMINO)ETHYL)-
Systematic Name English
4-((1S)-1-(((3-(DIFLUOROMETHYL)-1-METHYL-5-(3-(TRIFLUOROMETHYL)PHENOXY)-1H-PYRAZOL-4-YL)CARBONYL)AMINO)ETHYL)BENZOIC ACID
Systematic Name English
ER-886046
Common Name English
ER 886046 [WHO-DD]
Common Name English
palupiprant [INN]
Common Name English
Code System Code Type Description
INN
12035
Created by admin on Sat Dec 16 09:24:43 GMT 2023 , Edited by admin on Sat Dec 16 09:24:43 GMT 2023
PRIMARY
SMS_ID
300000033998
Created by admin on Sat Dec 16 09:24:43 GMT 2023 , Edited by admin on Sat Dec 16 09:24:43 GMT 2023
PRIMARY
NCI_THESAURUS
C129689
Created by admin on Sat Dec 16 09:24:43 GMT 2023 , Edited by admin on Sat Dec 16 09:24:43 GMT 2023
PRIMARY
CAS
1369489-71-3
Created by admin on Sat Dec 16 09:24:43 GMT 2023 , Edited by admin on Sat Dec 16 09:24:43 GMT 2023
PRIMARY
PUBCHEM
56944705
Created by admin on Sat Dec 16 09:24:43 GMT 2023 , Edited by admin on Sat Dec 16 09:24:43 GMT 2023
PRIMARY
FDA UNII
YWY620GU8I
Created by admin on Sat Dec 16 09:24:43 GMT 2023 , Edited by admin on Sat Dec 16 09:24:43 GMT 2023
PRIMARY