Compound Detail
CHEMBL5087185
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Basic Information
| ChEMBL ID | CHEMBL5087185 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLMOZRGHRRRTJS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
4.29
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF-10A CHEMBL614321 | EC50 | 4.81 | 4.755 | 15400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF-10A | EC50 | = | 15400.0 | nM | 4.81 | Antitumor activity against human spontaneously immortalized CDH-/- MCF10A cells ... | 34878770 |
| MCF-10A | EC50 | = | 20100.0 | nM | 4.7 | Antitumor activity against human spontaneously immortalized wild type MCF-10A ce... | 34878770 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34878770 | 10.1021/acs.jmedchem.1c01609 | MCF-10A | 2 |
| 34878770 | 10.1021/acs.jmedchem.1c01609 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine