Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C23H25ClN2O4S |
Molecular Weight | 460.974 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 2 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CCC\N=C1/S\C(=C/C2=CC=C(OC[C@H](O)CO)C(Cl)=C2)C(=O)N1C3=CC=CC=C3C
InChI
InChIKey=LPAUOXUZGSBGDU-STDDISTJSA-N
InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23-/t17-/m1/s1
Molecular Formula | C23H25ClN2O4S |
Molecular Weight | 460.974 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 2 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 17:58:24 UTC 2023
by
admin
on
Sat Dec 16 17:58:24 UTC 2023
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Record UNII |
5G7AKV2MKP
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Record Status |
Validated (UNII)
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Record Version |
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-
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Official Name | English | ||
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Code | English | ||
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C308
Created by
admin on Sat Dec 16 17:58:25 UTC 2023 , Edited by admin on Sat Dec 16 17:58:25 UTC 2023
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Code System | Code | Type | Description | ||
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CHEMBL1096146
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DB12016
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DTXSID50234631
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admin on Sat Dec 16 17:58:25 UTC 2023 , Edited by admin on Sat Dec 16 17:58:25 UTC 2023
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Ponesimod
Created by
admin on Sat Dec 16 17:58:25 UTC 2023 , Edited by admin on Sat Dec 16 17:58:25 UTC 2023
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C96534
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admin on Sat Dec 16 17:58:25 UTC 2023 , Edited by admin on Sat Dec 16 17:58:25 UTC 2023
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SUB182605
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admin on Sat Dec 16 17:58:25 UTC 2023 , Edited by admin on Sat Dec 16 17:58:25 UTC 2023
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2532300
Created by
admin on Sat Dec 16 17:58:25 UTC 2023 , Edited by admin on Sat Dec 16 17:58:25 UTC 2023
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CHEMBL2108311
Created by
admin on Sat Dec 16 17:58:25 UTC 2023 , Edited by admin on Sat Dec 16 17:58:25 UTC 2023
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100000169012
Created by
admin on Sat Dec 16 17:58:25 UTC 2023 , Edited by admin on Sat Dec 16 17:58:25 UTC 2023
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5G7AKV2MKP
Created by
admin on Sat Dec 16 17:58:25 UTC 2023 , Edited by admin on Sat Dec 16 17:58:25 UTC 2023
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CD-143
Created by
admin on Sat Dec 16 17:58:25 UTC 2023 , Edited by admin on Sat Dec 16 17:58:25 UTC 2023
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9150
Created by
admin on Sat Dec 16 17:58:25 UTC 2023 , Edited by admin on Sat Dec 16 17:58:25 UTC 2023
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854107-55-4
Created by
admin on Sat Dec 16 17:58:25 UTC 2023 , Edited by admin on Sat Dec 16 17:58:25 UTC 2023
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5G7AKV2MKP
Created by
admin on Sat Dec 16 17:58:25 UTC 2023 , Edited by admin on Sat Dec 16 17:58:25 UTC 2023
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C550169
Created by
admin on Sat Dec 16 17:58:25 UTC 2023 , Edited by admin on Sat Dec 16 17:58:25 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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METABOLIC ENZYME -> SUBSTRATE |
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METABOLIC ENZYME -> SUBSTRATE |
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BINDER->LIGAND |
mainly binding to albumin and alpha-1-acid glycoprotein
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METABOLIC ENZYME -> SUBSTRATE |
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METABOLIC ENZYME -> SUBSTRATE |
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EXCRETED UNCHANGED |
single oral administration
FECAL
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METABOLIC ENZYME -> SUBSTRATE |
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METABOLIC ENZYME -> SUBSTRATE |
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TARGET -> AGONIST |
EC50
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
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ORAL BIOAVAILABILITY | PHARMACOKINETIC |
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Biological Half-life | PHARMACOKINETIC |
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Tmax | PHARMACOKINETIC |
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Volume of Distribution | PHARMACOKINETIC |
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