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
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
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
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: Q9NWZ3 Gene ID: 51135.0 Gene Symbol: IRAK4 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/28498658 |
0.2 nM [IC50] |
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Jun 26 10:23:15 UTC 2021
by
admin
on
Sat Jun 26 10:23:15 UTC 2021
|
Record UNII |
S3F315JJXI
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
Download
Name | Type | Language | ||
---|---|---|---|---|
|
Common Name | English | ||
|
Systematic Name | English |
Code System | Code | Type | Description | ||
---|---|---|---|---|---|
|
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 | |||
|
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 | |||
|
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 | |||
|
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 |
Related Record | Type | Details | ||
---|---|---|---|---|
|
METABOLIC ENZYME -> NON-INHIBITOR | |||
|
METABOLIC ENZYME -> NON-INHIBITOR | |||
|
TARGET -> INHIBITOR |
COMPETITIVE INHIBITOR
IC50
|
||
|
METABOLIC ENZYME -> NON-INHIBITOR | |||
|
METABOLIC ENZYME -> NON-INHIBITOR | |||
|
METABOLIC ENZYME -> NON-INHIBITOR | |||
|
METABOLIC ENZYME -> NON-INHIBITOR | |||
|
METABOLIC ENZYME -> NON-INHIBITOR |
Related Record | Type | Details | ||
---|---|---|---|---|
|
ACTIVE MOIETY |