Compound Detail
CHEMBL5555304
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Basic Information
| ChEMBL ID | CHEMBL5555304 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHRJUYQLFVGPEY-NSHDSACASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
1.49
ALogP
8
HBA
4
HBD
131.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MV4-11 CHEMBL613835 | IC50 | 7.71 | 7.71 | 19.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MV4-11 | IC50 | = | 19.52 | nM | 7.71 | Antiproliferative activity against human MV4-11 cells assessed as inhibition of ... | 38547734 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38547734 | 10.1016/j.ejmech.2024.116351 | MV4-11 | 1 |
| 38547734 | 10.1016/j.ejmech.2024.116351 | HT-29 | 1 |
| 38547734 | 10.1016/j.ejmech.2024.116351 | Serine/threonine-protein kinase Chk1 | 1 |
Data from ChEMBL 36 via Core Engine