Compound Detail
CHEMBL5598377
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Basic Information
| ChEMBL ID | CHEMBL5598377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMCJYRXCAVIKDX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
468.6
MW (Da)
4.20
ALogP
8
HBA
1
HBD
82.4
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H1975 CHEMBL614348 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H1975 | IC50 | = | 60.0 | nM | 7.22 | Antiproliferative activity against human NCI-H1975 cells assessed as reduction i... | 38733884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38733884 | 10.1016/j.ejmech.2024.116477 | A-431 | 1 |
| 38733884 | 10.1016/j.ejmech.2024.116477 | NCI-H1975 | 1 |
Data from ChEMBL 36 via Core Engine