Details
Stereochemistry | ACHIRAL |
Molecular Formula | C25H21F3N2O |
Molecular Weight | 422.4422 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)(O)C1=CC=CC=C1C2=CC=C3N=C(NC3=C2)\C=C\C4=CC=C(C=C4)C(F)(F)F
InChI
InChIKey=ORDHXXHTBUZRCN-NTEUORMPSA-N
InChI=1S/C25H21F3N2O/c1-24(2,31)20-6-4-3-5-19(20)17-10-13-21-22(15-17)30-23(29-21)14-9-16-7-11-18(12-8-16)25(26,27)28/h3-15,31H,1-2H3,(H,29,30)/b14-9+
Molecular Formula | C25H21F3N2O |
Molecular Weight | 422.4422 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: Q8NER1 Gene ID: 7442.0 Gene Symbol: TRPV1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/25850459 |
4.6 nM [IC50] |
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 16:43:14 GMT 2023
by
admin
on
Sat Dec 16 16:43:14 GMT 2023
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Record UNII |
F197218T99
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Record Status |
Validated (UNII)
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Record Version |
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F197218T99
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17751090
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m11672
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Mavatrep
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Related Record | Type | Details | ||
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TARGET -> INHIBITOR |
COMPETITIVE INHIBITOR
IC50
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Related Record | Type | Details | ||
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ACTIVE MOIETY |