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Details

Stereochemistry ACHIRAL
Molecular Formula C18H16FN3O
Molecular Weight 309.3382
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PYRIDONE-6

SMILES

CC(C)(C)c1nc2c3ccc(cc3c4c(ccnc4O)c2[nH]1)F

InChI

InChIKey=VNDWQCSOSCCWIP-UHFFFAOYSA-N
InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)

HIDE SMILES / InChI

Molecular Formula C18H16FN3O
Molecular Weight 309.3382
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P52332
Gene ID: NA
Gene Symbol: Jak1
Target Organism: Mus musculus (Mouse)
15.0 nM [IC50]
Target ID: O60674
Gene ID: 3717.0
Gene Symbol: JAK2
Target Organism: Homo sapiens (Human)
1.0 nM [IC50]
Target ID: P52333
Gene ID: 3718.0
Gene Symbol: JAK3
Target Organism: Homo sapiens (Human)
5.0 nM [IC50]
Target ID: P29597
Gene ID: 7297.0
Gene Symbol: TYK2
Target Organism: Homo sapiens (Human)
1.0 nM [IC50]
Substance Class Chemical
Created
by admin
on Sat Jun 26 01:31:11 UTC 2021
Edited
by admin
on Sat Jun 26 01:31:11 UTC 2021
Record UNII
LDX3F0CCST
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PYRIDONE-6
Common Name English
CMP-6
Common Name English
PAN-JAK INHIBITOR P6
Common Name English
7H-BENZ(H)IMIDAZO(4,5-F)ISOQUINOLIN-7-ONE, 2-(1,1-DIMETHYLETHYL)-9-FLUORO-1,6-DIHYDRO-
Systematic Name English
JAK INHIBITOR I
Common Name English
2-(1,1-DIMETHYLETHYL)-9-FLUORO-1,6-DIHYDRO-7H-BENZ(H)IMIDAZO(4,5-F)ISOQUINOLIN-7-ONE
Systematic Name English
MERCK-5
Common Name English
Code System Code Type Description
DRUG BANK
DB04716
Created by admin on Sat Jun 26 01:31:11 UTC 2021 , Edited by admin on Sat Jun 26 01:31:11 UTC 2021
PRIMARY
EPA CompTox
457081-03-7
Created by admin on Sat Jun 26 01:31:11 UTC 2021 , Edited by admin on Sat Jun 26 01:31:11 UTC 2021
PRIMARY
CAS
457081-03-7
Created by admin on Sat Jun 26 01:31:11 UTC 2021 , Edited by admin on Sat Jun 26 01:31:11 UTC 2021
PRIMARY
PUBCHEM
5494425
Created by admin on Sat Jun 26 01:31:11 UTC 2021 , Edited by admin on Sat Jun 26 01:31:11 UTC 2021
PRIMARY
FDA UNII
LDX3F0CCST
Created by admin on Sat Jun 26 01:31:11 UTC 2021 , Edited by admin on Sat Jun 26 01:31:11 UTC 2021
PRIMARY