Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C22H25F3N4O |
Molecular Weight | 418.4553 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)(O)[C@H]1CC[C@@H](CC1)NC2=NN3C(C=C2)=NC=C3C4=CC(=CC=C4)C(F)(F)F
InChI
InChIKey=XRNVABDYQLHODA-JCNLHEQBSA-N
InChI=1S/C22H25F3N4O/c1-21(2,30)15-6-8-17(9-7-15)27-19-10-11-20-26-13-18(29(20)28-19)14-4-3-5-16(12-14)22(23,24)25/h3-5,10-13,15,17,30H,6-9H2,1-2H3,(H,27,28)/t15-,17-
Molecular Formula | C22H25F3N4O |
Molecular Weight | 418.4553 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL2147 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24953177 |
5.0 nM [Ki] | ||
Target ID: CHEMBL5407 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24953177 |
42.0 nM [Ki] |
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 11:53:14 GMT 2023
by
admin
on
Sat Dec 16 11:53:14 GMT 2023
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Record UNII |
EOB0N7BOY4
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Record Status |
Validated (UNII)
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Record Version |
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EOB0N7BOY4
Created by
admin on Sat Dec 16 11:53:14 GMT 2023 , Edited by admin on Sat Dec 16 11:53:14 GMT 2023
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C160203
Created by
admin on Sat Dec 16 11:53:14 GMT 2023 , Edited by admin on Sat Dec 16 11:53:14 GMT 2023
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1361951-15-6
Created by
admin on Sat Dec 16 11:53:14 GMT 2023 , Edited by admin on Sat Dec 16 11:53:14 GMT 2023
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Related Record | Type | Details | ||
---|---|---|---|---|
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TARGET->WEAK INHIBITOR |
IC50
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OFF TARGET->NON-INHIBITOR |
IC50
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TARGET -> INHIBITOR |
IC50
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TARGET -> INHIBITOR |
IC50
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SALT/SOLVATE -> PARENT |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
Originator: Tolero Pharmaceuticals; Mechanism of Action: 1 Phosphatidylinositol 3 kinase inhibitor, Proto oncogene protein c pim 1 inhibito
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