Details
Stereochemistry | ACHIRAL |
Molecular Formula | C27H32FN5O2 |
Molecular Weight | 477.5737 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)N1C(=O)N(C)C2=C1C3=CC(C4=CN=C(OCCCN5CCCCC5)C=C4)=C(F)C=C3N=C2
InChI
InChIKey=VQSZIPCGAGVRRP-UHFFFAOYSA-N
InChI=1S/C27H32FN5O2/c1-18(2)33-26-21-14-20(22(28)15-23(21)29-17-24(26)31(3)27(33)34)19-8-9-25(30-16-19)35-13-7-12-32-10-5-4-6-11-32/h8-9,14-18H,4-7,10-13H2,1-3H3
Molecular Formula | C27H32FN5O2 |
Molecular Weight | 477.5737 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
CNS Activity
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: Q13315 Gene ID: 472.0 Gene Symbol: ATM Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/29938225 |
0.78 nM [IC50] |
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 14:01:21 GMT 2023
by
admin
on
Sat Dec 16 14:01:21 GMT 2023
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Record UNII |
CI43QFE22O
|
Record Status |
Validated (UNII)
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Record Version |
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126689157
Created by
admin on Sat Dec 16 14:01:22 GMT 2023 , Edited by admin on Sat Dec 16 14:01:22 GMT 2023
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C150167
Created by
admin on Sat Dec 16 14:01:22 GMT 2023 , Edited by admin on Sat Dec 16 14:01:22 GMT 2023
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PRIMARY | NCIT | ||
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2089288-03-7
Created by
admin on Sat Dec 16 14:01:22 GMT 2023 , Edited by admin on Sat Dec 16 14:01:22 GMT 2023
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CI43QFE22O
Created by
admin on Sat Dec 16 14:01:22 GMT 2023 , Edited by admin on Sat Dec 16 14:01:22 GMT 2023
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100000181937
Created by
admin on Sat Dec 16 14:01:22 GMT 2023 , Edited by admin on Sat Dec 16 14:01:22 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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LABELED -> NON-LABELED |
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TARGET -> INHIBITOR |
CELL ASSAY
IC50
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OFF-TARGET->INHIBITOR |
IC50
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BINDER->LIGAND |
BINDING
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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