Compound Detail
CHEMBL1366322
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C=C/C(=C/C(=O)C[C@H](C)C[C@@H](C)CC[C@H](O)[C@H](C)C(=O)C[C@@H](O)[C@H](C)[C@@H](C)OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)CC
Basic Information
| ChEMBL ID | CHEMBL1366322 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAIBGAONSFVVKI-CIFLJJJCSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
606.8
MW (Da)
3.95
ALogP
10
HBA
3
HBD
164.5
PSA (Ų)
0.08
QED
1
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein phosphatase PP1-gamma catalytic subunit CHEMBL4438 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit CHEMBL5458 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform CHEMBL4703 | IC50 | 7.21 | 6.805 | 62.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.28 | 5.225 | 5200.0 | 2 |
| MCF7 CHEMBL387 | IC50 | 5.05 | 5.05 | 8900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine