Compound Detail
CHEMBL359059
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Basic Information
| ChEMBL ID | CHEMBL359059 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQQLJYMYHSODSD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
260.3
MW (Da)
0.45
ALogP
5
HBA
1
HBD
62.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H460 CHEMBL396 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H460 | IC50 | = | 110.0 | nM | 6.96 | Cytotoxic activity against non-small cell lung cancer cell line (NSCLC) H460 was... | 9871615 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871615 | 10.1016/s0960-894x(98)00069-9 | Homo sapiens | 1 |
| 9871615 | 10.1016/s0960-894x(98)00069-9 | NCI-H460 | 1 |
| 9871615 | 10.1016/s0960-894x(98)00069-9 | NCI-H596 | 1 |
| 9871615 | 10.1016/s0960-894x(98)00069-9 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine