Compound Detail
CHEMBL357618
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Basic Information
| ChEMBL ID | CHEMBL357618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDVBVCMOGVYWMV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
3.61
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LNCaP CHEMBL612518 | IC50 | 4.97 | 4.97 | 10800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LNCaP | IC50 | = | 10800.0 | nM | 4.97 | Cytotoxicity against human LNCaP cell line | 16789753 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25753330 | 10.1016/j.bmc.2015.02.003 | Epidermal growth factor receptor | 2 |
| 12408714 | 10.1021/jm020200g | Androgen receptor | 1 |
| 16789753 | 10.1021/jm051043z | PC-3 | 1 |
| 16789753 | 10.1021/jm051043z | LNCaP | 1 |
| 25753330 | 10.1016/j.bmc.2015.02.003 | Unchecked | 1 |
| 25753330 | 10.1016/j.bmc.2015.02.003 | NCI-H1975 | 1 |
Data from ChEMBL 36 via Core Engine