Compound Detail
CHEMBL9595
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Basic Information
| ChEMBL ID | CHEMBL9595 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZROKQJLWXIWMRR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
1.71
ALogP
6
HBA
1
HBD
70.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lewis lung carcinoma cell line CHEMBL614088 | IC50 | 8.43 | 8.43 | 3.7 | 1 |
| P388 CHEMBL389 | IC50 | 8.17 | 8.17 | 6.8 | 1 |
| Jurkat CHEMBL397 | IC50 | 8.07 | 8.07 | 8.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lewis lung carcinoma cell line | IC50 | = | 3.7 | nM | 8.43 | Growth inhibitory activity against murine Lewis lung carcinoma cell line | 12620081 |
| P388 | IC50 | = | 6.8 | nM | 8.17 | Growth inhibitory activity against murine P388 leukemia cells | 12620081 |
| Jurkat | IC50 | = | 8.5 | nM | 8.07 | Growth inhibitory activity against human Jurkat leukemia cell line (JLC) | 12620081 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12620081 | 10.1021/jm020420u | Unchecked | 2 |
| 12620081 | 10.1021/jm020420u | Mus musculus | 2 |
| 12620081 | 10.1021/jm020420u | P388 | 1 |
| 12620081 | 10.1021/jm020420u | Lewis lung carcinoma cell line | 1 |
| 12620081 | 10.1021/jm020420u | Jurkat | 1 |
Data from ChEMBL 36 via Core Engine