Compound Detail
CHEMBL335077
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CC(C)C[C@H](N[C@@H](CCc1ccccc1)C1OO1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C1OO1
Basic Information
| ChEMBL ID | CHEMBL335077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOMIXJFPXCFDNP-HJOGWXRNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
479.6
MW (Da)
3.78
ALogP
6
HBA
3
HBD
107.0
PSA (Ų)
0.25
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, brain form CHEMBL3856 | Ki | 7.5 | 7.5 | 31.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, brain form | Ki | = | 31.62 | nM | 7.5 | Inhibitory activity against Pig Skeletal Glycogen Phosphorylase b | 12213058 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12213058 | 10.1021/jm020808p | Glycogen phosphorylase, brain form | 1 |
Data from ChEMBL 36 via Core Engine