Compound Detail
CHEMBL5079494
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Basic Information
| ChEMBL ID | CHEMBL5079494 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJLIOSXSAOEGGS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
4.31
ALogP
4
HBA
1
HBD
43.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF-10A CHEMBL614321 | EC50 | 5.02 | 4.955 | 9500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF-10A | EC50 | = | 9500.0 | nM | 5.02 | Antitumor activity against human spontaneously immortalized CDH-/- MCF10A cells ... | 34878770 |
| MCF-10A | EC50 | = | 12900.0 | nM | 4.89 | 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