Details
Stereochemistry | ACHIRAL |
Molecular Formula | C14H21N5O2S |
Molecular Weight | 323.414 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)C2=NC=NC3=C2C=CN3
InChI
InChIKey=IUEWXNHSKRWHDY-PHIMTYICSA-N
InChI=1S/C14H21N5O2S/c1-3-6-22(20,21)18-10-7-11(8-10)19(2)14-12-4-5-15-13(12)16-9-17-14/h4-5,9-11,18H,3,6-8H2,1-2H3,(H,15,16,17)/t10-,11+
Molecular Formula | C14H21N5O2S |
Molecular Weight | 323.414 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:58:58 UTC 2023
by
admin
on
Sat Dec 16 08:58:58 UTC 2023
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Record UNII |
73SM5SF3OR
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Record Status |
Validated (UNII)
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Record Version |
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-
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Code System | Code | Type | Description | ||
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CHEMBL3544929
Created by
admin on Sat Dec 16 08:58:59 UTC 2023 , Edited by admin on Sat Dec 16 08:58:59 UTC 2023
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78323835
Created by
admin on Sat Dec 16 08:58:59 UTC 2023 , Edited by admin on Sat Dec 16 08:58:59 UTC 2023
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1622902-68-4
Created by
admin on Sat Dec 16 08:58:59 UTC 2023 , Edited by admin on Sat Dec 16 08:58:59 UTC 2023
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300000002660
Created by
admin on Sat Dec 16 08:58:59 UTC 2023 , Edited by admin on Sat Dec 16 08:58:59 UTC 2023
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2591476
Created by
admin on Sat Dec 16 08:58:59 UTC 2023 , Edited by admin on Sat Dec 16 08:58:59 UTC 2023
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DTXSID301126581
Created by
admin on Sat Dec 16 08:58:59 UTC 2023 , Edited by admin on Sat Dec 16 08:58:59 UTC 2023
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C166985
Created by
admin on Sat Dec 16 08:58:59 UTC 2023 , Edited by admin on Sat Dec 16 08:58:59 UTC 2023
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73SM5SF3OR
Created by
admin on Sat Dec 16 08:58:59 UTC 2023 , Edited by admin on Sat Dec 16 08:58:59 UTC 2023
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FG-31
Created by
admin on Sat Dec 16 08:58:59 UTC 2023 , Edited by admin on Sat Dec 16 08:58:59 UTC 2023
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DB14973
Created by
admin on Sat Dec 16 08:58:59 UTC 2023 , Edited by admin on Sat Dec 16 08:58:59 UTC 2023
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Abrocitinib
Created by
admin on Sat Dec 16 08:58:59 UTC 2023 , Edited by admin on Sat Dec 16 08:58:59 UTC 2023
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73SM5SF3OR
Created by
admin on Sat Dec 16 08:58:59 UTC 2023 , Edited by admin on Sat Dec 16 08:58:59 UTC 2023
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11012
Created by
admin on Sat Dec 16 08:58:59 UTC 2023 , Edited by admin on Sat Dec 16 08:58:59 UTC 2023
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Related Record | Type | Details | ||
---|---|---|---|---|
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TARGET -> INHIBITOR |
ATP at the apparent Km.
IC50
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TRANSPORTER -> INHIBITOR |
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TARGET -> INHIBITOR |
ATP at the apparent Km.
IC50
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METABOLIC ENZYME -> SUBSTRATE |
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METABOLIC ENZYME -> SUBSTRATE |
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TARGET -> INHIBITOR |
At 1 mM ATP.
IC50
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TRANSPORTER -> SUBSTRATE |
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TARGET -> INHIBITOR |
At 1 mM ATP.
IC50
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Related Record | Type | Details | ||
---|---|---|---|---|
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METABOLITE ACTIVE -> PARENT |
PLASMA; URINE
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METABOLITE ACTIVE -> PARENT |
PLASMA; URINE
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METABOLITE ACTIVE -> PARENT |
URINE
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METABOLITE -> PARENT |
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METABOLITE ACTIVE -> PARENT |
PLASMA; URINE
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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