Details
Stereochemistry | ACHIRAL |
Molecular Formula | C21H20F3N7O3S |
Molecular Weight | 507.489 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CN(C1=NC=CC=C1CNC2=C(C=NC(NC3=CC=C4NC(=O)CC4=C3)=N2)C(F)(F)F)S(C)(=O)=O
InChI
InChIKey=MZDKLVOWGIOKTN-UHFFFAOYSA-N
InChI=1S/C21H20F3N7O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30)
Molecular Formula | C21H20F3N7O3S |
Molecular Weight | 507.489 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: Q05397 Gene ID: 5747.0 Gene Symbol: PTK2 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/18339875 |
1.5 nM [IC50] |
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:52:58 GMT 2023
by
admin
on
Fri Dec 15 15:52:58 GMT 2023
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Record UNII |
K5BX8ZA7UF
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Record Status |
Validated (UNII)
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Record Version |
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K5BX8ZA7UF
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11713159
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DTXSID10471000
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717907-75-0
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CHEMBL1084546
Created by
admin on Fri Dec 15 15:52:58 GMT 2023 , Edited by admin on Fri Dec 15 15:52:58 GMT 2023
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Related Record | Type | Details | ||
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TARGET -> INHIBITOR |
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SALT/SOLVATE -> PARENT |
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TARGET -> INHIBITOR |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |