Compound Detail
CHEMBL4762551
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Basic Information
| ChEMBL ID | CHEMBL4762551 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KREHHXQCESWPEP-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
271.3
MW (Da)
1.63
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-231 CHEMBL400 | IC50 | 4.06 | 4.06 | 87000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-231 | IC50 | = | 87000.0 | nM | 4.06 | Antiproliferative activity against human MDA-MB-231 cells incubated for 24 hrs b... | 32686940 |
| MDA-MB-231 | IC50 | = | 87000.0 | nM | 4.06 | Antiproliferative activity against human MDA-MB-231 cells assessed as inhibition... | 37000154 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32686940 | 10.1021/acs.jmedchem.0c00530 | MDA-MB-231 | 2 |
| 32686940 | 10.1021/acs.jmedchem.0c00530 | MCF-10A | 1 |
| 37000154 | 10.1021/acs.jmedchem.2c01594 | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine