Details
Stereochemistry | ACHIRAL |
Molecular Formula | C22H25F3N4O.ClH |
Molecular Weight | 454.916 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CC(C)(O)[C@H]1CC[C@@H](CC1)NC2=NN3C(C=C2)=NC=C3C4=CC(=CC=C4)C(F)(F)F
InChI
InChIKey=RJXWMEFBAZTYCY-BFLZMHAMSA-N
InChI=1S/C22H25F3N4O.ClH/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);1H/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 |
Molecular Formula | ClH |
Molecular Weight | 36.461 |
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: 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 15:06:52 GMT 2023
by
admin
on
Sat Dec 16 15:06:52 GMT 2023
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Record UNII |
D7A0W431TR
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Record Status |
Validated (UNII)
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Record Version |
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-
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Systematic Name | English |
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FDA ORPHAN DRUG |
874922
Created by
admin on Sat Dec 16 15:06:52 GMT 2023 , Edited by admin on Sat Dec 16 15:06:52 GMT 2023
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Code System | Code | Type | Description | ||
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D7A0W431TR
Created by
admin on Sat Dec 16 15:06:52 GMT 2023 , Edited by admin on Sat Dec 16 15:06:52 GMT 2023
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PRIMARY | |||
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1418143-09-5
Created by
admin on Sat Dec 16 15:06:52 GMT 2023 , Edited by admin on Sat Dec 16 15:06:52 GMT 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |
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