Compound Detail
CHEMBL303559
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CN(CCNC(=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)CCN(C)CCNC(=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2
Basic Information
| ChEMBL ID | CHEMBL303559 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACDQZGAIOXDAGN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
688.8
MW (Da)
5.23
ALogP
8
HBA
2
HBD
124.6
PSA (Ų)
0.19
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lewis lung carcinoma cell line CHEMBL614088 | IC50 | 6.33 | 6.33 | 472.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 6.25 | 6.25 | 566.0 | 1 |
| P388 CHEMBL389 | IC50 | 6.1 | 6.1 | 790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lewis lung carcinoma cell line | IC50 | = | 472.0 | nM | 6.33 | Inhibitory activity against Lewis lung carcinoma cells | 11384245 |
| Jurkat | IC50 | = | 566.0 | nM | 6.25 | Inhibitory activity against Jurkat human leukemia cells | 11384245 |
| P388 | IC50 | = | 790.0 | nM | 6.1 | Inhibitory activity against P388 murine leukemia cells | 11384245 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11384245 | 10.1021/jm010041l | Jurkat | 3 |
| 11384245 | 10.1021/jm010041l | P388 | 1 |
| 11384245 | 10.1021/jm010041l | Lewis lung carcinoma cell line | 1 |
Data from ChEMBL 36 via Core Engine