Compound Detail
CHEMBL4588274
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COc1cccc([C@H]2CN(C(=O)c3ccc(C(=O)O)c(-n4c(C)ccc4C)c3)C[C@@H]2O)c1
Basic Information
| ChEMBL ID | CHEMBL4588274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIPSAPHRWGFUQQ-GGAORHGYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
3.40
ALogP
5
HBA
2
HBD
92.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Jurkat CHEMBL397 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Jurkat | EC50 | = | 10000.0 | nM | 5.0 | Cytotoxic activity against human Jurkat cells assessed as reduction in cell viab... | - |
Data from ChEMBL 36 via Core Engine