Compound Detail
CHEMBL9489
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Basic Information
| ChEMBL ID | CHEMBL9489 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXVWVQWTLDEQMC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
380.5
MW (Da)
2.95
ALogP
5
HBA
1
HBD
67.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P388 CHEMBL389 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Lewis lung carcinoma cell line CHEMBL614088 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 14.0 | nM | 7.85 | Growth inhibitory activity against murine P388 leukemia cells | 12620081 |
| Lewis lung carcinoma cell line | IC50 | = | 15.0 | nM | 7.82 | Growth inhibitory activity against murine Lewis lung carcinoma cell line | 12620081 |
| Jurkat | IC50 | = | 51.0 | nM | 7.29 | Growth inhibitory activity against human Jurkat leukemia cell line (JLC) | 12620081 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12620081 | 10.1021/jm020420u | Mus musculus | 4 |
| 12620081 | 10.1021/jm020420u | Unchecked | 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