Compound Detail
CHEMBL133575
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C/C=C(\C)C(=O)c1c(O)c(/C(=C/C(=O)O)c2ccccc2)c2c(c1OC)C=CC(C)(C)O2
Basic Information
| ChEMBL ID | CHEMBL133575 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITDQXOISWWDOGP-MSBMPMNRSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
5.25
ALogP
5
HBA
2
HBD
93.1
PSA (Ų)
0.48
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.66
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 2200.0 | nM | 5.66 | Antiproliferative activity against human HL60 cells after 48 hrs by CCK8 assay | 29475587 |
| MOLT-4 | IC50 | = | 4500.0 | nM | 5.35 | Tested for cytotoxicity in Molt-4 cells by XTT assay | 7506311 |
| HeLa | IC50 | = | 36400.0 | nM | 4.44 | Antiproliferative activity against human HeLa cells after 48 hrs by CCK8 assay | 29475587 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7506311 | 10.1021/jm00078a001 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 7506311 | 10.1021/jm00078a001 | MOLT-4 | 1 |
| 29475587 | 10.1016/j.bmcl.2018.02.022 | HeLa | 1 |
| 29475587 | 10.1016/j.bmcl.2018.02.022 | NIH3T3 | 1 |
| 29475587 | 10.1016/j.bmcl.2018.02.022 | Unchecked | 1 |
| 29475587 | 10.1016/j.bmcl.2018.02.022 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine