Compound Detail
CHEMBL358530
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Basic Information
| ChEMBL ID | CHEMBL358530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CAJFLFZYFINPOS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
0.89
ALogP
5
HBA
1
HBD
62.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H460 CHEMBL396 | IC50 | 7.03 | 7.03 | 93.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H460 | IC50 | = | 93.0 | nM | 7.03 | Cytotoxicity was measured on non-small cell lung cancer(NSCLC) in H460 cell line... | 9822546 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9822546 | 10.1021/jm980328r | NAD(P)H dehydrogenase [quinone] 1 | 2 |
| 9822546 | 10.1021/jm980328r | NCI-H460 | 1 |
| 9822546 | 10.1021/jm980328r | NCI-H596 | 1 |
| 9822546 | 10.1021/jm980328r | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine