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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H22F3N7OS
Molecular Weight 465.497
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GDC-0339

SMILES

Cn1c(c(cn1)N=C(c2c(N)sc(-c3c(cccc3F)F)n2)O)N4CC[C@]([H])([C@@]([H])(CC4)N)F

InChI

InChIKey=NHXVGMQFCYBLTL-ZWNOBZJWSA-N
InChI=1S/C20H22F3N7OS/c1-29-20(30-7-5-10(21)13(24)6-8-30)14(9-26-29)27-18(31)16-17(25)32-19(28-16)15-11(22)3-2-4-12(15)23/h2-4,9-10,13H,5-8,24-25H2,1H3,(H,27,31)/t10-,13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H22F3N7OS
Molecular Weight 465.497
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
0.03 nM [IC50]
0.1 nM [IC50]
0.02 nM [IC50]
PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Sat Jun 26 07:24:46 UTC 2021
Edited
by admin
on Sat Jun 26 07:24:46 UTC 2021
Record UNII
2PRJ7DX38T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GDC-0339
Code English
GDC0339
Code English
5-AMINO-N-(5-((4R,5R)-4-AMINO-5-FLUOROAZEPAN-1-YL)-1-METHYL-1H-PYRAZOL-4-YL)-2-(2,6-DIFLUOROPHENYL)THIAZOLE-4-CARBOXAMIDE
Systematic Name English
Code System Code Type Description
CAS
1428569-85-0
Created by admin on Sat Jun 26 07:24:46 UTC 2021 , Edited by admin on Sat Jun 26 07:24:46 UTC 2021
PRIMARY
PUBCHEM
73603034
Created by admin on Sat Jun 26 07:24:46 UTC 2021 , Edited by admin on Sat Jun 26 07:24:46 UTC 2021
PRIMARY
FDA UNII
2PRJ7DX38T
Created by admin on Sat Jun 26 07:24:46 UTC 2021 , Edited by admin on Sat Jun 26 07:24:46 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
PAN-PIM INHIBITOR
IC50
METABOLIC ENZYME -> SUBSTRATE
Related Record Type Details
METABOLITE -> PARENT