Compound Detail
CHEMBL5598386
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Basic Information
| ChEMBL ID | CHEMBL5598386 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWWKFNUCZJIMLN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
515.4
MW (Da)
4.89
ALogP
7
HBA
1
HBD
69.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 9.62 | 9.62 | 0.2 | 1 |
| NCI-H1975 CHEMBL614348 | IC50 | 8.21 | 8.21 | 6.2 | 1 |
| A-431 CHEMBL614069 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ALK tyrosine kinase receptor | IC50 | = | 0.24 | nM | 9.62 | Inhibition of ALK (unknown origin) | 38733884 |
| NCI-H1975 | IC50 | = | 6.21 | nM | 8.21 | Antiproliferative activity against human NCI-H1975 cells assessed as reduction i... | 38733884 |
| A-431 | IC50 | = | 100.0 | nM | 7.0 | Antiproliferative activity against human A-431 cells assessed as reduction in ce... | 38733884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38733884 | 10.1016/j.ejmech.2024.116477 | ALK tyrosine kinase receptor | 1 |
| 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