Compound Detail
CHEMBL4523003
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Basic Information
| ChEMBL ID | CHEMBL4523003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCVYSWVGFDMXFU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
311.3
MW (Da)
3.51
ALogP
3
HBA
1
HBD
59.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H1975 CHEMBL614348 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H1975 | IC50 | = | 2100.0 | nM | 5.68 | Antiproliferative activity against human NCI-H1975 cells assessed as reduction i... | 31419740 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31419740 | 10.1016/j.ejmech.2019.111584 | NCI-H1975 | 1 |
Data from ChEMBL 36 via Core Engine