Compound Detail
CHEMBL3765516
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Basic Information
| ChEMBL ID | CHEMBL3765516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKEFTPQGPWNRNH-LXTVHRRPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
275.3
MW (Da)
0.69
ALogP
5
HBA
4
HBD
82.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H1299 CHEMBL612255 | IC50 | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H1299 | IC50 | = | 75000.0 | nM | 4.12 | Cytotoxicity against human NCI-H1299 cells assessed as reduction in cell viabili... | 26832785 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26832785 | 10.1016/j.bmcl.2016.01.063 | NCI-H1299 | 5 |
| 26832785 | 10.1016/j.bmcl.2016.01.063 | Endoplasmic reticulum chaperone BiP | 1 |
Data from ChEMBL 36 via Core Engine