Compound Detail
CHEMBL470206
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Basic Information
| ChEMBL ID | CHEMBL470206 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLDKESUHTXUAIM-OLWBIZNASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
1
Known Names
Molecular Properties
394.5
MW (Da)
2.60
ALogP
6
HBA
2
HBD
89.2
PSA (Ų)
0.24
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NB-4 CHEMBL614188 | IC50 | 5.05 | 5.05 | 8900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NB-4 | IC50 | = | 8900.0 | nM | 5.05 | Cytotoxicity against human NB4 cells after 48 hrs by SRB assay | 19285395 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19285395 | 10.1016/j.bmcl.2009.02.029 | NB-4 | 1 |
| 19285395 | 10.1016/j.bmcl.2009.02.029 | NCI-H460 | 1 |
| 19285395 | 10.1016/j.bmcl.2009.02.029 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine