Compound Detail
CHEMBL4572302
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Basic Information
| ChEMBL ID | CHEMBL4572302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFAHJLUMKZEXNX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
3.17
ALogP
5
HBA
0
HBD
55.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H727 CHEMBL1075545 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H727 | IC50 | = | 30000.0 | nM | 4.52 | Antiproliferative activity against human NCI-H727 cells after 48 hrs by Hoechst ... | 30655216 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30655216 | 10.1016/j.bmcl.2018.12.050 | NCI-H727 | 2 |
| 30655216 | 10.1016/j.bmcl.2018.12.050 | Huh-7 | 1 |
| 30655216 | 10.1016/j.bmcl.2018.12.050 | Caco-2 | 1 |
| 30655216 | 10.1016/j.bmcl.2018.12.050 | MDA-MB-231 | 1 |
| 30655216 | 10.1016/j.bmcl.2018.12.050 | HCT-116 | 1 |
| 30655216 | 10.1016/j.bmcl.2018.12.050 | PC-3 | 1 |
| 30655216 | 10.1016/j.bmcl.2018.12.050 | HaCaT | 1 |
| 30655216 | 10.1016/j.bmcl.2018.12.050 | Fibroblast | 1 |
Data from ChEMBL 36 via Core Engine