Compound Detail
CHEMBL4877188
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Basic Information
| ChEMBL ID | CHEMBL4877188 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUAMYCMVMJEIRS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
344.8
MW (Da)
3.11
ALogP
5
HBA
1
HBD
67.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-453 CHEMBL614334 | IC50 | 5.59 | 5.59 | 2562.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-453 | IC50 | = | 2562.0 | nM | 5.59 | Antiproliferative activity against human MDA-MB-453 cells assessed as inhibition... | 34406768 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34406768 | 10.1021/acs.jmedchem.1c01202 | A-375 | 1 |
| 34406768 | 10.1021/acs.jmedchem.1c01202 | M14 | 1 |
| 34406768 | 10.1021/acs.jmedchem.1c01202 | RPMI-7951 | 1 |
| 34406768 | 10.1021/acs.jmedchem.1c01202 | MDA-MB-231 | 1 |
| 34406768 | 10.1021/acs.jmedchem.1c01202 | MDA-MB-453 | 1 |
| 34406768 | 10.1021/acs.jmedchem.1c01202 | MDA-MB-468 | 1 |
| 34406768 | 10.1021/acs.jmedchem.1c01202 | A549 | 1 |
| 34406768 | 10.1021/acs.jmedchem.1c01202 | A549/TR | 1 |
Data from ChEMBL 36 via Core Engine