Details
Stereochemistry | ACHIRAL |
Molecular Formula | C17H15BrF2N4O3 |
Molecular Weight | 441.227 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CN1C=NC2=C(F)C(NC3=C(F)C=C(Br)C=C3)=C(C=C12)C(=O)NOCCO
InChI
InChIKey=ACWZRVQXLIRSDF-UHFFFAOYSA-N
InChI=1S/C17H15BrF2N4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)
Molecular Formula | C17H15BrF2N4O3 |
Molecular Weight | 441.227 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 16:05:44 UTC 2023
by
admin
on
Sat Dec 16 16:05:44 UTC 2023
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Record UNII |
181R97MR71
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Record Status |
Validated (UNII)
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Record Version |
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-
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Code | English |
Classification Tree | Code System | Code | ||
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FDA ORPHAN DRUG |
440414
Created by
admin on Sat Dec 16 16:05:46 UTC 2023 , Edited by admin on Sat Dec 16 16:05:46 UTC 2023
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NCI_THESAURUS |
C69145
Created by
admin on Sat Dec 16 16:05:46 UTC 2023 , Edited by admin on Sat Dec 16 16:05:46 UTC 2023
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NCI_THESAURUS |
C129825
Created by
admin on Sat Dec 16 16:05:46 UTC 2023 , Edited by admin on Sat Dec 16 16:05:46 UTC 2023
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WHO-ATC |
L01XE41
Created by
admin on Sat Dec 16 16:05:46 UTC 2023 , Edited by admin on Sat Dec 16 16:05:46 UTC 2023
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FDA ORPHAN DRUG |
411613
Created by
admin on Sat Dec 16 16:05:46 UTC 2023 , Edited by admin on Sat Dec 16 16:05:46 UTC 2023
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FDA ORPHAN DRUG |
411513
Created by
admin on Sat Dec 16 16:05:46 UTC 2023 , Edited by admin on Sat Dec 16 16:05:46 UTC 2023
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Code System | Code | Type | Description | ||
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C84865
Created by
admin on Sat Dec 16 16:05:46 UTC 2023 , Edited by admin on Sat Dec 16 16:05:46 UTC 2023
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PRIMARY | |||
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SUB179942
Created by
admin on Sat Dec 16 16:05:46 UTC 2023 , Edited by admin on Sat Dec 16 16:05:46 UTC 2023
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9764
Created by
admin on Sat Dec 16 16:05:46 UTC 2023 , Edited by admin on Sat Dec 16 16:05:46 UTC 2023
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PRIMARY | |||
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181R97MR71
Created by
admin on Sat Dec 16 16:05:46 UTC 2023 , Edited by admin on Sat Dec 16 16:05:46 UTC 2023
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PRIMARY | |||
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BC-93
Created by
admin on Sat Dec 16 16:05:46 UTC 2023 , Edited by admin on Sat Dec 16 16:05:46 UTC 2023
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PRIMARY | |||
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606143-89-9
Created by
admin on Sat Dec 16 16:05:46 UTC 2023 , Edited by admin on Sat Dec 16 16:05:46 UTC 2023
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PRIMARY | |||
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5290
Created by
admin on Sat Dec 16 16:05:46 UTC 2023 , Edited by admin on Sat Dec 16 16:05:46 UTC 2023
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PRIMARY | |||
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m12078
Created by
admin on Sat Dec 16 16:05:46 UTC 2023 , Edited by admin on Sat Dec 16 16:05:46 UTC 2023
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PRIMARY | |||
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10288191
Created by
admin on Sat Dec 16 16:05:46 UTC 2023 , Edited by admin on Sat Dec 16 16:05:46 UTC 2023
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PRIMARY | |||
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181R97MR71
Created by
admin on Sat Dec 16 16:05:46 UTC 2023 , Edited by admin on Sat Dec 16 16:05:46 UTC 2023
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PRIMARY | |||
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DTXSID70209422
Created by
admin on Sat Dec 16 16:05:46 UTC 2023 , Edited by admin on Sat Dec 16 16:05:46 UTC 2023
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PRIMARY | |||
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Binimetinib
Created by
admin on Sat Dec 16 16:05:46 UTC 2023 , Edited by admin on Sat Dec 16 16:05:46 UTC 2023
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PRIMARY | |||
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Binimetinib
Created by
admin on Sat Dec 16 16:05:46 UTC 2023 , Edited by admin on Sat Dec 16 16:05:46 UTC 2023
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PRIMARY | |||
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100000165993
Created by
admin on Sat Dec 16 16:05:46 UTC 2023 , Edited by admin on Sat Dec 16 16:05:46 UTC 2023
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PRIMARY | |||
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CHEMBL3187723
Created by
admin on Sat Dec 16 16:05:46 UTC 2023 , Edited by admin on Sat Dec 16 16:05:46 UTC 2023
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PRIMARY | |||
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145371
Created by
admin on Sat Dec 16 16:05:46 UTC 2023 , Edited by admin on Sat Dec 16 16:05:46 UTC 2023
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PRIMARY | |||
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2049122
Created by
admin on Sat Dec 16 16:05:46 UTC 2023 , Edited by admin on Sat Dec 16 16:05:46 UTC 2023
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PRIMARY | |||
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DB11967
Created by
admin on Sat Dec 16 16:05:46 UTC 2023 , Edited by admin on Sat Dec 16 16:05:46 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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EXCRETED UNCHANGED |
FECAL
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METABOLIC ENZYME -> INHIBITOR |
MINOR
IC50
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METABOLIC ENZYME -> SUBSTRATE |
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TRANSPORTER -> INHIBITOR |
MINOR
IC50
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BINDER->LIGAND |
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TRANSPORTER -> SUBSTRATE |
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METABOLIC ENZYME -> SUBSTRATE |
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EXCRETED UNCHANGED |
URINE
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TRANSPORTER -> SUBSTRATE |
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TARGET -> INHIBITOR |
IC50
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TARGET -> INHIBITOR |
IC50
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Related Record | Type | Details | ||
---|---|---|---|---|
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METABOLITE -> PARENT |
MAJOR
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METABOLITE ACTIVE -> PARENT |
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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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Volume of Distribution | PHARMACOKINETIC |
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DOSE |
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Biological Half-life | PHARMACOKINETIC |
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Tmax | PHARMACOKINETIC |
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DOSE |
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