Compound Detail
CHEMBL5437502
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Basic Information
| ChEMBL ID | CHEMBL5437502 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJMUJMDLLMUDGK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
528.4
MW (Da)
4.88
ALogP
4
HBA
0
HBD
66.9
PSA (Ų)
0.26
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 1100.0 | nM | 5.96 | Antiproliferative activity against human MCF7 cells expressing CYP1A1 assessed a... | 36780426 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36780426 | 10.1021/acs.jmedchem.2c01268 | Unchecked | 2 |
| 36780426 | 10.1021/acs.jmedchem.2c01268 | MCF7 | 1 |
| 36780426 | 10.1021/acs.jmedchem.2c01268 | HT-29 | 1 |
| 36780426 | 10.1021/acs.jmedchem.2c01268 | M21 | 1 |
Data from ChEMBL 36 via Core Engine