Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C21H15F2N5O |
| Molecular Weight | 391.3735 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)(O)C1=NC2=NC=C(N2N=C1)C3=CC=C(F)C(=C3)C4=C(F)C=CC=C4C#N
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 | 391.3735 |
| 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 Dec 16 01:03:24 UTC 2023
by
admin
on
Sat Dec 16 01:03:24 UTC 2023
|
| Record UNII |
GMY695BP6Q
|
| Record Status |
Validated (UNII)
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| 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 | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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GMY695BP6Q
Created by
admin on Sat Dec 16 01:03:24 UTC 2023 , Edited by admin on Sat Dec 16 01:03:24 UTC 2023
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PRIMARY | |||
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425377-76-0
Created by
admin on Sat Dec 16 01:03:24 UTC 2023 , Edited by admin on Sat Dec 16 01:03:24 UTC 2023
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9865233
Created by
admin on Sat Dec 16 01:03:24 UTC 2023 , Edited by admin on Sat Dec 16 01:03:24 UTC 2023
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TPA-023B
Created by
admin on Sat Dec 16 01:03:24 UTC 2023 , Edited by admin on Sat Dec 16 01:03:24 UTC 2023
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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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SALT/SOLVATE -> PARENT |
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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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