Compound Detail
CHEMBL4645530
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Basic Information
| ChEMBL ID | CHEMBL4645530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUPHOBHXAOMVAJ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
4.76
ALogP
4
HBA
2
HBD
66.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LNCaP C4-2 CHEMBL4296460 | IC50 | 4.9 | 4.9 | 12700.0 | 2 |
| PC-3 CHEMBL390 | IC50 | 4.71 | 4.71 | 19700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LNCaP C4-2 | IC50 | = | 12700.0 | nM | 4.9 | Cytotoxicity against human C4-2 cells assessed as reduction in cell viability me... | 32421328 |
| LNCaP C4-2 | IC50 | = | 12700.0 | nM | 4.9 | Cytotoxicity against human LNCaP C4-2 cells assessed as cell growth inhibition i... | 38092421 |
| PC-3 | IC50 | = | 19700.0 | nM | 4.71 | Cytotoxicity against human PC3 cells assessed as reduction in cell viability mea... | 32421328 |
| PC-3 | IC50 | = | 19700.0 | nM | 4.71 | Cytotoxicity against human PC-3 cells assessed as reduction in cell viability in... | 38092421 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32421328 | 10.1021/acs.jmedchem.0c00475 | Baculoviral IAP repeat-containing protein 5 | 3 |
| 32421328 | 10.1021/acs.jmedchem.0c00475 | PC-3 | 1 |
| 32421328 | 10.1021/acs.jmedchem.0c00475 | LNCaP C4-2 | 1 |
| 38092421 | 10.1021/acs.jmedchem.3c01130 | PC-3 | 1 |
| 38092421 | 10.1021/acs.jmedchem.3c01130 | LNCaP C4-2 | 1 |
Data from ChEMBL 36 via Core Engine