Compound Detail
CHEMBL22237
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COC(=O)[C@@]1(C)CCC[C@@]2(C)C1CC[C@@H](C(=O)O)[C@@H]2CCc1ccc2c(OC(C)=O)ccc(OC(C)=O)c2c1
Basic Information
| ChEMBL ID | CHEMBL22237 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYLGUYDUDLRNRZ-KTRDKKGVSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
538.6
MW (Da)
5.72
ALogP
7
HBA
1
HBD
116.2
PSA (Ų)
0.35
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.75
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 1800.0 | nM | 5.75 | Cytotoxic Activity against cultured cells of P-388 murine leukemia. | 11312925 |
| A549 | IC50 | = | 1800.0 | nM | 5.75 | Cytotoxic activity against cultured cells of A-549 human lung carcinoma. | 11312925 |
| HT-29 | IC50 | = | 1800.0 | nM | 5.75 | Cytotoxic activity against cultured cells of HT-29 human colon carcinoma. | 11312925 |
| SK-MEL-28 | IC50 | = | 1800.0 | nM | 5.75 | Cytotoxic activity against cultured cells of MEL-28 malign human melanoma. | 11312925 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11312925 | 10.1021/jm001048q | P388 | 1 |
| 11312925 | 10.1021/jm001048q | A549 | 1 |
| 11312925 | 10.1021/jm001048q | HT-29 | 1 |
| 11312925 | 10.1021/jm001048q | SK-MEL-28 | 1 |
Data from ChEMBL 36 via Core Engine