Compound Detail
CHEMBL5432763
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O=C(CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(COC(=O)C(Cl)Cl)(COC(=O)C(Cl)Cl)COC(=O)C(Cl)Cl
Basic Information
| ChEMBL ID | CHEMBL5432763 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GUQAFTCMFFISDE-UHFFFAOYSA-O |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
813.4
MW (Da)
6.44
ALogP
7
HBA
1
HBD
108.0
PSA (Ų)
0.05
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostate cell CHEMBL614850 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostate cell | IC50 | = | 17000.0 | nM | 4.77 | Antiproliferative activity against human prostate cell assessed as inhibition of... | 37688544 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37688544 | 10.1021/acs.jmedchem.3c01197 | Prostate cell | 1 |
Data from ChEMBL 36 via Core Engine