Compound Detail
CHEMBL4285846
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Basic Information
| ChEMBL ID | CHEMBL4285846 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLFAJLHIJQPMNJ-BBATYDOGSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
3.15
ALogP
6
HBA
1
HBD
77.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 1.0 | nM | 9.0 | Antiproliferative activity against human HeLa cells after 48 hrs by MTT assay | 29306206 |
| A2780 | IC50 | = | 2.0 | nM | 8.7 | Antiproliferative activity against human A2780 cells after 48 hrs by MTT assay | 29306206 |
| MDA-MB-231 | IC50 | = | 3.0 | nM | 8.52 | Antiproliferative activity against human MDA-MB-231 cells after 48 hrs by MTT as... | 29306206 |
| SK-OV-3 | IC50 | = | 3.0 | nM | 8.52 | Antiproliferative activity against human SKOV3 cells after 48 hrs by MTT assay | 29306206 |
| Unchecked | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of pig brain tubulin polymerization measured every 1 min for 20 mins ... | 29306206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29306206 | 10.1016/j.ejmech.2017.12.004 | HeLa | 20 |
| 29306206 | 10.1016/j.ejmech.2017.12.004 | Mus musculus | 16 |
| 29306206 | 10.1016/j.ejmech.2017.12.004 | Unchecked | 6 |
| 29306206 | 10.1016/j.ejmech.2017.12.004 | A2780 | 5 |
| 29306206 | 10.1016/j.ejmech.2017.12.004 | MDA-MB-231 | 2 |
| 29306206 | 10.1016/j.ejmech.2017.12.004 | SK-OV-3 | 1 |
| 29306206 | 10.1016/j.ejmech.2017.12.004 | HUVEC | 1 |
| 29306206 | 10.1016/j.ejmech.2017.12.004 | Mitotic checkpoint serine/threonine-protein kinase BUB1 beta | 1 |
Data from ChEMBL 36 via Core Engine