Compound Detail
CHEMBL341166
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CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)c2ccc(C(=O)Nc3cc(CN(C)C)cc(N(CC)CCCl)c3)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL341166 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKTQBLYATRQUBI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
641.7
MW (Da)
6.44
ALogP
6
HBA
2
HBD
71.2
PSA (Ų)
0.18
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P388 CHEMBL389 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 7000.0 | nM | 5.16 | Concentration of the drug to inhibit wild type P388 murine leukemia cell growth ... | 7527862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7527862 | 10.1021/jm00051a010 | P388 | 1 |
Data from ChEMBL 36 via Core Engine