Compound Detail
CHEMBL23606
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C=CC(=O)O[C@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]2C(=O)OC[C@@H]21)OCO3
Basic Information
| ChEMBL ID | CHEMBL23606 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIYVADSQYOZVJU-UXVKIGTPSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
468.5
MW (Da)
3.15
ALogP
9
HBA
0
HBD
98.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.28
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 53.0 | nM | 7.28 | In vitro cytotoxicity against the A-549 (human lung carcinoma) neoplastic cell l... | 14980682 |
| SK-MEL-28 | IC50 | = | 53.0 | nM | 7.28 | In vitro cytotoxicity against MEL-28 (human malign melanoma) neoplastic cell lin... | 14980682 |
| P388 | IC50 | = | 55.0 | nM | 7.26 | In vitro cytotoxicity against the P-388 (from DBA/2 mouse) neoplastic cell line | 14980682 |
| HT-29 | IC50 | = | 55.0 | nM | 7.26 | In vitro cytotoxicity against the HT-29 (human colon carcinoma) neoplastic cell ... | 14980682 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14980682 | 10.1016/j.bmcl.2003.12.039 | P388 | 1 |
| 14980682 | 10.1016/j.bmcl.2003.12.039 | A549 | 1 |
| 14980682 | 10.1016/j.bmcl.2003.12.039 | HT-29 | 1 |
| 14980682 | 10.1016/j.bmcl.2003.12.039 | SK-MEL-28 | 1 |
Data from ChEMBL 36 via Core Engine