Compound Detail
CHEMBL361643
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Basic Information
| ChEMBL ID | CHEMBL361643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMFBOKNSGPWVJD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
307.5
MW (Da)
4.49
ALogP
3
HBA
1
HBD
46.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H460 CHEMBL396 | EC50 | 4.7 | 4.7 | 20000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H460 | EC50 | = | 20000.0 | nM | 4.7 | Inhibition of human lung cancer NCI-H460 cell growth | 15715470 |
| NCI-H460 | EC50 | = | 20000.0 | nM | 4.7 | Inhibition of human NCI-H460 cells | 18247554 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15715470 | 10.1021/jm049207j | NCI-H460 | 1 |
| 18247554 | 10.1021/jm7011408 | NCI-H460 | 1 |
| 25233084 | 10.1021/jm5008209 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine