Details
Stereochemistry | ACHIRAL |
Molecular Formula | C26H22FN7O.H2O |
Molecular Weight | 485.5129 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.CN1N=C(C)C=C1C(=O)NC2=CC(NC3=CC=C4C(NN=C4\C=C\C5=NC=CC=C5)=C3)=CC=C2F
InChI
InChIKey=CEEBKRSSENLBDD-YGCVIUNWSA-N
InChI=1S/C26H22FN7O.H2O/c1-16-13-25(34(2)33-16)26(35)30-24-15-19(7-10-21(24)27)29-18-6-9-20-22(31-32-23(20)14-18)11-8-17-5-3-4-12-28-17;/h3-15,29H,1-2H3,(H,30,35)(H,31,32);1H2/b11-8+;
Molecular Formula | C26H22FN7O |
Molecular Weight | 467.4976 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Molecular Formula | H2O |
Molecular Weight | 18.0153 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Overview
CYP3A4 | CYP2C9 | CYP2D6 | hERG |
---|---|---|---|
OverviewOther
Other Inhibitor | Other Substrate | Other Inducer |
---|---|---|
Drug as perpetrator​
Target | Modality | Activity | Metabolite | Clinical evidence |
---|---|---|---|---|
yes [IC50 1 uM] | ||||
yes [IC50 1.5 uM] | ||||
yes [IC50 10 uM] | ||||
yes [IC50 11 uM] |
Drug as victim
Target | Modality | Activity | Metabolite | Clinical evidence |
---|---|---|---|---|
minimal |
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 12:12:54 GMT 2023
by
admin
on
Sat Dec 16 12:12:54 GMT 2023
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Record UNII |
15VTU0Z1XL
|
Record Status |
Validated (UNII)
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Record Version |
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-
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15VTU0Z1XL
Created by
admin on Sat Dec 16 12:12:54 GMT 2023 , Edited by admin on Sat Dec 16 12:12:54 GMT 2023
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126961375
Created by
admin on Sat Dec 16 12:12:54 GMT 2023 , Edited by admin on Sat Dec 16 12:12:54 GMT 2023
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865411-27-4
Created by
admin on Sat Dec 16 12:12:54 GMT 2023 , Edited by admin on Sat Dec 16 12:12:54 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE |