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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H15ClF3NO2
Molecular Weight 405.798
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZATOLMILAST

SMILES

OC(=O)CC1=CC=C(CC2=CC(=NC(=C2)C(F)(F)F)C3=CC(Cl)=CC=C3)C=C1

InChI

InChIKey=LTSUMTMGJHPGFX-UHFFFAOYSA-N
InChI=1S/C21H15ClF3NO2/c22-17-3-1-2-16(12-17)18-9-15(10-19(26-18)21(23,24)25)8-13-4-6-14(7-5-13)11-20(27)28/h1-7,9-10,12H,8,11H2,(H,27,28)

HIDE SMILES / InChI
Molecular Formula C21H15ClF3NO2
Molecular Weight 405.798
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 14:43:03 GMT 2023
Edited
by admin
on Sat Dec 16 14:43:03 GMT 2023
Record UNII
G786V328X6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZATOLMILAST
INN   USAN  
Official Name English
BPN14770
Code English
BENZENEACETIC ACID, 4-((2-(3-CHLOROPHENYL)-6-(TRIFLUOROMETHYL)-4-PYRIDINYL)METHYL)-
Systematic Name English
BPN-14770
Code English
2-(4-((2-(3-CHLOROPHENYL)-6-(TRIFLUOROMETHYL)PYRIDIN-4-YL)METHYL)PHENYL)ACETIC ACID
Systematic Name English
zatolmilast [INN]
Common Name English
ZATOLMILAST [USAN]
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 631618
Created by admin on Sat Dec 16 14:43:03 GMT 2023 , Edited by admin on Sat Dec 16 14:43:03 GMT 2023
Code System Code Type Description
SMS_ID
300000027472
Created by admin on Sat Dec 16 14:43:03 GMT 2023 , Edited by admin on Sat Dec 16 14:43:03 GMT 2023
PRIMARY
DRUG BANK
DB14790
Created by admin on Sat Dec 16 14:43:03 GMT 2023 , Edited by admin on Sat Dec 16 14:43:03 GMT 2023
PRIMARY
USAN
JK-132
Created by admin on Sat Dec 16 14:43:03 GMT 2023 , Edited by admin on Sat Dec 16 14:43:03 GMT 2023
PRIMARY
NCI_THESAURUS
C175880
Created by admin on Sat Dec 16 14:43:03 GMT 2023 , Edited by admin on Sat Dec 16 14:43:03 GMT 2023
PRIMARY
CAS
1606974-33-7
Created by admin on Sat Dec 16 14:43:03 GMT 2023 , Edited by admin on Sat Dec 16 14:43:03 GMT 2023
PRIMARY
PUBCHEM
90111638
Created by admin on Sat Dec 16 14:43:03 GMT 2023 , Edited by admin on Sat Dec 16 14:43:03 GMT 2023
PRIMARY
INN
11495
Created by admin on Sat Dec 16 14:43:03 GMT 2023 , Edited by admin on Sat Dec 16 14:43:03 GMT 2023
PRIMARY
FDA UNII
G786V328X6
Created by admin on Sat Dec 16 14:43:03 GMT 2023 , Edited by admin on Sat Dec 16 14:43:03 GMT 2023
PRIMARY
Related Record Type Details
CAMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE PDE4D7
TARGET->ALLOSTERIC INHIBITOR
ALLOSTERIC INHIBITOR
IC50
CAMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE PDE4D2
TARGET -> INHIBITOR
selective negative allosteric modulator
CAMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE PDE4D3
TARGET->ALLOSTERIC INHIBITOR
ALLOSTERIC INHIBITOR
IC50
CAMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 4D
TARGET->ALLOSTERIC INHIBITOR
Selective negative allosteric modulator with binding affinity values (IC50) of 7.8 nM and 7.4 nM for PDE4D7 and PDE4D3, respectively.
ALLOSTERIC INHIBITOR
Related Record Type Details
Structure of ZATOLMILAST
ACTIVE MOIETY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966