Compound Detail
CHEMBL4526137
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Basic Information
| ChEMBL ID | CHEMBL4526137 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYYNZFMAQQDMDB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
4.93
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-OV-3 CHEMBL614925 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-OV-3 | IC50 | = | 24000.0 | nM | 4.62 | Antiproliferative activity against human SKOV3 cells after 72 hrs by MTT assay | 31264855 |
| MDA-MB-231 | IC50 | = | 25000.0 | nM | 4.6 | Antiproliferative activity against human MDA-MB-231 cells after 72 hrs by MTT as... | 31264855 |
| HCT-116 | IC50 | = | 40000.0 | nM | 4.4 | Antiproliferative activity against human HCT116 cells after 72 hrs by MTT assay | 31264855 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31264855 | 10.1021/acs.jmedchem.9b00736 | SK-OV-3 | 1 |
| 31264855 | 10.1021/acs.jmedchem.9b00736 | MDA-MB-231 | 1 |
| 31264855 | 10.1021/acs.jmedchem.9b00736 | HCT-116 | 1 |
| 31264855 | 10.1021/acs.jmedchem.9b00736 | WI-38 | 1 |
Data from ChEMBL 36 via Core Engine