Compound Detail
CHEMBL376224
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Nc1cc(NC(=O)c2cc3cc(NC(=O)Nc4ccc5oc(C(=O)Nc6cc(N)c7ccccc7c6CCCl)cc5c4)ccc3o2)c(CCCl)c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL376224 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFFQWEWAFLGTFK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
785.7
MW (Da)
10.36
ALogP
7
HBA
6
HBD
177.7
PSA (Ų)
0.06
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P815 CHEMBL614226 | IC50 | 4.38 | 4.38 | 42000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P815 | IC50 | = | 42000.0 | nM | 4.38 | Cytotoxicity against mouse P815 cells after 3 days | 16919946 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16919946 | 10.1016/j.bmcl.2006.08.005 | P815 | 1 |
Data from ChEMBL 36 via Core Engine