Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C21H26NO2.I |
| Molecular Weight | 451.3411 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[I-].C[N+]1(C)CCC(CC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChIKey=WWJHRSCUAQPFQO-UHFFFAOYSA-M
InChI=1S/C21H26NO2.HI/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18;/h3-12,19-20H,13-16H2,1-2H3;1H/q+1;/p-1
| Molecular Formula | I |
| Molecular Weight | 126.90447 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C21H26NO2 |
| Molecular Weight | 324.4366 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
| 0.31 nM [IC50] | |||
Target ID: CHEMBL2035 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26988801 |
0.32 nM [IC50] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 08:40:14 GMT 2025
by
admin
on
Wed Apr 02 08:40:14 GMT 2025
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| Record UNII |
CP6GVV66RG
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| Record Status |
Validated (UNII)
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| Record Version |
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CP6GVV66RG
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3014059
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1952-15-4
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73340
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DTXSID40941281
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4-DAMP
Created by
admin on Wed Apr 02 08:40:14 GMT 2025 , Edited by admin on Wed Apr 02 08:40:14 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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LABELED -> NON-LABELED |
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PARENT -> SALT/SOLVATE |
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TARGET -> INHIBITOR |
Binding Assay
IC50
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