Compound Detail
CHEMBL220308
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Basic Information
| ChEMBL ID | CHEMBL220308 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLOVRBOUGWZBJG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
2.75
ALogP
7
HBA
2
HBD
102.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H460 CHEMBL396 | IC50 | 6.55 | 6.55 | 283.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H460 | IC50 | = | 283.0 | nM | 6.55 | Inhibition of proliferation of human H460 cells | 17286393 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17286393 | 10.1021/jm061348t | NCI-H460 | 1 |
Data from ChEMBL 36 via Core Engine