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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H20FN3O4
Molecular Weight 361.3682
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PF-06650833

SMILES

CC[C@@]1([H])[C@@]([H])(COc2c3cc(c(cc3ccn2)C(=N)O)OC)N=C([C@@]1([H])F)O

InChI

InChIKey=JKDGKIBAOAFRPJ-ZBINZKHDSA-N
InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H20FN3O4
Molecular Weight 361.3682
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: Q9NWZ3
Gene ID: 51135
Gene Symbol: IRAK4
Target Organism: Homo sapiens (Human)
0.200000000000000011 nM [IC50]
Substance Class Chemical
Created
by admin
on Sat Jun 26 10:23:15 UTC 2021
Edited
by admin
on Sat Jun 26 10:23:15 UTC 2021
Record UNII
S3F315JJXI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PF-06650833
Common Name English
6-ISOQUINOLINECARBOXAMIDE, 1-(((2S,3S,4S)-3-ETHYL-4-FLUORO-5-OXO-2-PYRROLIDINYL)METHOXY)-7-METHOXY-
Systematic Name English
Code System Code Type Description
DRUG BANK
DB15143
Created by admin on Sat Jun 26 10:23:15 UTC 2021 , Edited by admin on Sat Jun 26 10:23:15 UTC 2021
PRIMARY
FDA UNII
S3F315JJXI
Created by admin on Sat Jun 26 10:23:15 UTC 2021 , Edited by admin on Sat Jun 26 10:23:15 UTC 2021
PRIMARY
PUBCHEM
118414016
Created by admin on Sat Jun 26 10:23:15 UTC 2021 , Edited by admin on Sat Jun 26 10:23:15 UTC 2021
PRIMARY
CAS
1817626-54-2
Created by admin on Sat Jun 26 10:23:15 UTC 2021 , Edited by admin on Sat Jun 26 10:23:15 UTC 2021
PRIMARY
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IC50
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METABOLIC ENZYME -> NON-INHIBITOR
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ACTIVE MOIETY