Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C21H15F2N5O |
| Molecular Weight | 391.3743 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)(c1cnn2c(cnc2n1)-c3ccc(c(c3)-c4c(cccc4F)C#N)F)O
InChI
InChIKey=PCZLQMGFNUNVOM-UHFFFAOYSA-N
InChI=1S/C21H15F2N5O/c1-21(2,29)18-11-26-28-17(10-25-20(28)27-18)12-6-7-15(22)14(8-12)19-13(9-24)4-3-5-16(19)23/h3-8,10-11,29H,1-2H3
| Molecular Formula | C21H15F2N5O |
| Molecular Weight | 391.3743 |
| 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 06:03:00 UTC 2021
by
admin
on
Sat Jun 26 06:03:00 UTC 2021
|
| Record UNII |
GMY695BP6Q
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
Download
| Name | Type | Language | ||
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Code | English | ||
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Code | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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GMY695BP6Q
Created by
admin on Sat Jun 26 06:03:00 UTC 2021 , Edited by admin on Sat Jun 26 06:03:00 UTC 2021
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PRIMARY | |||
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425377-76-0
Created by
admin on Sat Jun 26 06:03:00 UTC 2021 , Edited by admin on Sat Jun 26 06:03:00 UTC 2021
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9865233
Created by
admin on Sat Jun 26 06:03:00 UTC 2021 , Edited by admin on Sat Jun 26 06:03:00 UTC 2021
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TPA-023B
Created by
admin on Sat Jun 26 06:03:00 UTC 2021 , Edited by admin on Sat Jun 26 06:03:00 UTC 2021
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET->PARTIAL AGONIST |
BINDING
Ki
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TARGET -> INHIBITOR |
BINDING
Ki
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TARGET->PARTIAL AGONIST |
BINDING
Ki
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
In the TPA023-1.0-mg/kg-trained group, four to six rats showed full generalization to TPA023B at 0.32 to 32 mg/kg. The ED50 value was 0.206 mg/kg. Response rates were not strongly affected by TPA023B in any of the three training groups. The highest TPA023B dose tested was determined by solubility limits of TPA023B in relation to the maximal volume of injection preferred (i.e., 2 ml/kg i.p.).
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