Compound Detail
CHEMBL133097
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Basic Information
| ChEMBL ID | CHEMBL133097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQTAMPRAONLFQI-FMTWGGRWSA-N |
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
280.2
MW (Da)
-4.00
ALogP
8
HBA
6
HBD
171.6
PSA (Ų)
0.30
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, brain form CHEMBL3856 | Ki | 4.8 | 4.8 | 15848.9 | 2 |
| Glycogen phosphorylase, muscle form CHEMBL4696 | Ki | 4.8 | 4.8 | 16000.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 4.8 | 4.8 | 15995.6 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, brain form | Ki | = | 16000.0 | nM | 4.8 | Inhibition of rabbit glycogen phosphorylase B enzyme | 9154968 |
| Glycogen phosphorylase, brain form | Ki | = | 15848.93 | nM | 4.8 | Inhibitory activity against Pig Skeletal Glycogen Phosphorylase b | 12213058 |
| Unchecked | Ki | = | 15995.58 | nM | 4.8 | Affinity on glycogen phosphorylase (GP) enzyme. | 9435905 |
| Unchecked | Ki | = | 15995.58 | nM | 4.8 | Inhibitory activity against glycogen phosphorylase, activity expressed as -logKi | 12502357 |
| Glycogen phosphorylase, muscle form | Ki | = | 16000.0 | nM | 4.8 | Inhibition of rabbit skeletal muscle glycogen phosphorylase b by Dixon plot | 20080412 |
| Glycogen phosphorylase, muscle form | Ki | = | 16000.0 | nM | 4.8 | Inhibition of rabbit skeletal muscle glycogen phosphorylase b | 20080412 |
| Unchecked | Ki | = | 16000.0 | nM | 4.8 | Inhibition of glycogen phosphorylase b (unknown origin) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9406599 | 10.1021/jm970273d | Glycogen phosphorylase, muscle form | 2 |
| 9154968 | 10.1021/jm9608016 | Glycogen phosphorylase, brain form | 2 |
| 10966742 | 10.1021/jm000941m | Unchecked | 2 |
| 20080412 | 10.1016/j.bmc.2009.12.043 | Glycogen phosphorylase, muscle form | 2 |
| 12213058 | 10.1021/jm020808p | Glycogen phosphorylase, brain form | 1 |
| 9435905 | 10.1021/jm970488n | Unchecked | 1 |
| 12502357 | 10.1021/jm011051p | Unchecked | 1 |
| - | 10.1007/s00044-013-0812-0 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine