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

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H29F3N2O2
Molecular Weight 494.548
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DAGROCORAT

SMILES

[H][C@]12CCC3=CC(=CC=C3[C@]1(CC4=CC=CC=C4)CC[C@@](O)(C2)C(F)(F)F)C(=O)NC5=CC=CN=C5C

InChI

InChIKey=QJJBNCHSWFGXML-KEKPKEOLSA-N
InChI=1S/C29H29F3N2O2/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(36,29(30,31)32)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23,36H,9,11,13-14,17-18H2,1H3,(H,34,35)/t23-,27+,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula C29H29F3N2O2
Molecular Weight 494.548
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Pfizer developed fosdagrocorat (PF-04171327), a dissociated agonist of the glucocorticoid receptor for the treatment of rheumatoid arthritis. The drug successfully completed the phase II clinical trial; however, further study of the drug was discontinued.

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents
Substance Class Chemical
Created
by admin
on Thu Jul 06 08:00:01 UTC 2023
Edited
by admin
on Thu Jul 06 08:00:01 UTC 2023
Record UNII
OPM23UN90U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DAGROCORAT
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
PF-802
Code English
DAGROCORAT [USAN]
Common Name English
PF-00251802
Code English
PF-0251802
Code English
(4bS,7R,8aR)-4b-Benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-2-carboxamide
Systematic Name English
Dagrocorat [WHO-DD]
Common Name English
dagrocorat [INN]
Common Name English
2-PHENANTHRENECARBOXAMIDE, 4B,5,6,7,8,8A,9,10-OCTAHYDRO-7-HYDROXY-N-(2-METHYL-3-PYRIDINYL)-4B-(PHENYLMETHYL)-7-(TRIFLUOROMETHYL)-, (4BS,7R,8AR)-
Systematic Name English
Code System Code Type Description
CAS
1044535-52-5
Created by admin on Thu Jul 06 08:00:01 UTC 2023 , Edited by admin on Thu Jul 06 08:00:01 UTC 2023
PRIMARY
NCI_THESAURUS
C174807
Created by admin on Thu Jul 06 08:00:01 UTC 2023 , Edited by admin on Thu Jul 06 08:00:01 UTC 2023
PRIMARY
INN
9842
Created by admin on Thu Jul 06 08:00:01 UTC 2023 , Edited by admin on Thu Jul 06 08:00:01 UTC 2023
PRIMARY
FDA UNII
OPM23UN90U
Created by admin on Thu Jul 06 08:00:01 UTC 2023 , Edited by admin on Thu Jul 06 08:00:01 UTC 2023
PRIMARY
ChEMBL
CHEMBL3137304
Created by admin on Thu Jul 06 08:00:01 UTC 2023 , Edited by admin on Thu Jul 06 08:00:01 UTC 2023
PRIMARY
PUBCHEM
24873449
Created by admin on Thu Jul 06 08:00:01 UTC 2023 , Edited by admin on Thu Jul 06 08:00:01 UTC 2023
PRIMARY
DRUG BANK
DB14676
Created by admin on Thu Jul 06 08:00:01 UTC 2023 , Edited by admin on Thu Jul 06 08:00:01 UTC 2023
PRIMARY
SMS_ID
300000034052
Created by admin on Thu Jul 06 08:00:01 UTC 2023 , Edited by admin on Thu Jul 06 08:00:01 UTC 2023
PRIMARY
USAN
AB-23
Created by admin on Thu Jul 06 08:00:01 UTC 2023 , Edited by admin on Thu Jul 06 08:00:01 UTC 2023
PRIMARY
EPA CompTox
DTXSID60146493
Created by admin on Thu Jul 06 08:00:01 UTC 2023 , Edited by admin on Thu Jul 06 08:00:01 UTC 2023
PRIMARY
WIKIPEDIA
Dagrocorat
Created by admin on Thu Jul 06 08:00:01 UTC 2023 , Edited by admin on Thu Jul 06 08:00:01 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET->PARTIAL AGONIST
Related Record Type Details
PRODRUG -> METABOLITE ACTIVE
Related Record Type Details
ACTIVE MOIETY