Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C28H31F2N7O4S |
| Molecular Weight | 599.652 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC[C@@H](N1CCN(C)CC1)C(=O)NC2=CC=CC3=C2NC=C3C4=NC(NC5=CC=CC(=C5F)S(C)(=O)=O)=NC=C4F
InChI
InChIKey=JNUZADQZHYFJGW-JOCHJYFZSA-N
InChI=1S/C28H31F2N7O4S/c1-36-10-12-37(13-11-36)22(16-41-2)27(38)33-21-8-4-6-17-18(14-31-26(17)21)25-19(29)15-32-28(35-25)34-20-7-5-9-23(24(20)30)42(3,39)40/h4-9,14-15,22,31H,10-13,16H2,1-3H3,(H,33,38)(H,32,34,35)/t22-/m1/s1
| Molecular Formula | C28H31F2N7O4S |
| Molecular Weight | 599.652 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:28:27 UTC 2023
by
admin
on
Sat Dec 16 18:28:27 UTC 2023
|
| Record UNII |
JAC34RRR7S
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Common Name | English | ||
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Common Name | English | ||
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Code | English | ||
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Code | English | ||
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Common Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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135240395
Created by
admin on Sat Dec 16 18:28:27 UTC 2023 , Edited by admin on Sat Dec 16 18:28:27 UTC 2023
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PRIMARY | |||
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12630
Created by
admin on Sat Dec 16 18:28:27 UTC 2023 , Edited by admin on Sat Dec 16 18:28:27 UTC 2023
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PRIMARY | |||
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2241039-81-4
Created by
admin on Sat Dec 16 18:28:27 UTC 2023 , Edited by admin on Sat Dec 16 18:28:27 UTC 2023
|
PRIMARY | |||
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JAC34RRR7S
Created by
admin on Sat Dec 16 18:28:27 UTC 2023 , Edited by admin on Sat Dec 16 18:28:27 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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OFF TARGET->NON-INHIBITOR |
IC50
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||
|
TARGET -> INHIBITOR |
Potent and selective Janus Kinase 1 Inhibitor, an inhaled treatment for respiratory disease.
IC50
|
||
|
|
TARGET->WEAK INHIBITOR |
IC50
|
||
|
|
TARGET->WEAK INHIBITOR |
IC50
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||
|
BINDER->LIGAND |
Percent binding
BINDING
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ACTIVE MOIETY |
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