Compound Detail
CHEMBL3351132
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Basic Information
| ChEMBL ID | CHEMBL3351132 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYUJZNBOUYNSAF-VDUCJHRSSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
255.7
MW (Da)
-2.86
ALogP
6
HBA
5
HBD
119.2
PSA (Ų)
0.35
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, brain form CHEMBL3856 | Ki | 4.4 | 4.3667 | 39810.7 | 3 |
| Unchecked CHEMBL612545 | Ki | 4.35 | 4.35 | 44978.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, brain form | Ki | = | 39810.72 | nM | 4.4 | Inhibitory activity against Pig Skeletal Glycogen Phosphorylase b | 12213058 |
| Glycogen phosphorylase, brain form | Ki | = | 45000.0 | nM | 4.35 | Inhibitory binding constant against glycogen phosphorylase B | 15163189 |
| Glycogen phosphorylase, brain form | Ki | = | 45000.0 | nM | 4.35 | Inhibition of rabbit glycogen phosphorylase B enzyme | 9154968 |
| Unchecked | Ki | = | 45000.0 | nM | 4.35 | The compound was evaluated for the inhibition of glycogen phosphorylase | 10377222 |
| Unchecked | Ki | = | 44977.99 | nM | 4.35 | Affinity on glycogen phosphorylase (GP) enzyme. | 9435905 |
| Unchecked | Ki | = | 44977.99 | nM | 4.35 | Inhibitory activity against glycogen phosphorylase, activity expressed as -logKi | 12502357 |
| Unchecked | Ki | = | 45000.0 | nM | 4.35 | Inhibition of glycogen phosphorylase b (unknown origin) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9406599 | 10.1021/jm970273d | Glycogen phosphorylase, muscle form | 1 |
| 15163189 | 10.1021/jm030586a | Glycogen phosphorylase, brain form | 1 |
| 8057302 | 10.1021/jm00042a012 | Glycogen phosphorylase, brain form | 1 |
| 9154968 | 10.1021/jm9608016 | Glycogen phosphorylase, brain form | 1 |
| 10377222 | 10.1021/jm980515p | Unchecked | 1 |
| 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