Compound Detail
CHEMBL17130
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CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL17130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFCWHQNNCOJYTR-QKIDKDKQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
767.0
MW (Da)
4.79
ALogP
13
HBA
3
HBD
192.2
PSA (Ų)
0.11
QED
2
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform CHEMBL4703 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 22.0 | nM | 7.66 | Inhibition of recombinant PP1 (unknown origin) by standard phosphorylase-a inhib... | - |
| Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform | IC50 | = | 22.0 | nM | 7.66 | Inhibition of recombinant PP2A (unknown origin) by standard phosphorylase-a inhi... | - |
Data from ChEMBL 36 via Core Engine