Compound Detail
CHEMBL4581922
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Basic Information
| ChEMBL ID | CHEMBL4581922 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSQFVLLIVRHOCF-KPKJPENVSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
4.27
ALogP
6
HBA
0
HBD
75.0
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.08 | 8.165 | 0.8 | 2 |
| A2780/Taxol CHEMBL4483224 | IC50 | 8.27 | 8.27 | 5.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.84 | nM | 9.08 | Potentiation of vincristine-induced cytotoxicity against human KBV cells assesse... | 30455148 |
| A2780/Taxol | IC50 | = | 5.4 | nM | 8.27 | Potentiation of paclitaxel-induced cytotoxicity against human A2780/TAX cells as... | 30455148 |
| Unchecked | IC50 | = | 56.59 | nM | 7.25 | Potentiation of cisplatin-induced cytotoxicity against human A2780/CDDP cells as... | 30455148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30455148 | 10.1016/j.bmcl.2018.11.023 | Unchecked | 8 |
| 30455148 | 10.1016/j.bmcl.2018.11.023 | A2780/Taxol | 3 |
| 30455148 | 10.1016/j.bmcl.2018.11.023 | HUVEC | 1 |
Data from ChEMBL 36 via Core Engine