Compound Detail
CHEMBL482808
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CCCC(=O)O[C@H]1C(=O)O[C@@H]2C[C@H]3C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@H]3[C@]4(O)OC[C@]32[C@@H]1[C@@H](C)[C@H]4O
Basic Information
| ChEMBL ID | CHEMBL482808 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBFFGCMRWUKRAU-SMMGBBGPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
464.5
MW (Da)
0.49
ALogP
9
HBA
3
HBD
139.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 3000.0 | nM | 5.52 | Cytotoxicity against human HL60 cells assessed as loss of membrane integrity aft... | 11754601 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11754601 | 10.1021/np010212p | HL-60 | 3 |
| 11754601 | 10.1021/np010212p | Unchecked | 1 |
| 11754601 | 10.1021/np010212p | ADMET | 1 |
Data from ChEMBL 36 via Core Engine