Details
Stereochemistry | ACHIRAL |
Molecular Formula | C27H21F3N2O5S |
Molecular Weight | 542.5284 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
c1ccc2c(c1)cnc(c2C3CC3)N(Cc4ccc(cc4)OC(F)(F)F)S(=O)(=O)c5ccc(cc5)C(=O)O
InChI
InChIKey=CWEFDWIKLABKBX-UHFFFAOYSA-N
InChI=1S/C27H21F3N2O5S/c28-27(29,30)37-21-11-5-17(6-12-21)16-32(38(35,36)22-13-9-19(10-14-22)26(33)34)25-24(18-7-8-18)23-4-2-1-3-20(23)15-31-25/h1-6,9-15,18H,7-8,16H2,(H,33,34)
Molecular Formula | C27H21F3N2O5S |
Molecular Weight | 542.5284 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Jun 26 14:40:16 UTC 2021
by
admin
on
Sat Jun 26 14:40:16 UTC 2021
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Record UNII |
KIB8V5UR7D
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Record Status |
Validated (UNII)
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Record Version |
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-
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10708
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DB15287
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SUB193069
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66548125
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C169937
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KIB8V5UR7D
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1400699-64-0
Created by
admin on Sat Jun 26 14:40:17 UTC 2021 , Edited by admin on Sat Jun 26 14:40:17 UTC 2021
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Related Record | Type | Details | ||
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METABOLIC ENZYME -> INHIBITOR |
COMPETITIVE INHIBITOR
Ki
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METABOLIC ENZYME -> INHIBITOR |
Ki
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TRANSPORTER -> INHIBITOR |
IC50
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TRANSPORTER -> INHIBITOR |
IC50
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METABOLIC ENZYME -> INHIBITOR |
kinact
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TRANSPORTER -> NON-SUBSTRATE | |||
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TRANSPORTER -> INHIBITOR |
IC50
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TARGET -> INHIBITOR |
inhibited the menthol-induced increase of [Ca2+] in a cell line expressing the hTRPM8 channel with an IC50 of 0.61 nmol/L.
IC50
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TRANSPORTER -> NON-SUBSTRATE | |||
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TRANSPORTER -> NON-SUBSTRATE | |||
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TRANSPORTER -> NON-SUBSTRATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |