Compound Detail
CHEMBL39350
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CC(=O)Nc1ccc2[nH]c(/C=C/C(=O)N3CC(CCl)c4c3cc(O)c3ccccc43)cc2c1
Basic Information
| ChEMBL ID | CHEMBL39350 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAZVXCTXGWFSJK-VQHVLOKHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
459.9
MW (Da)
5.37
ALogP
3
HBA
3
HBD
85.4
PSA (Ų)
0.28
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 0.9 | nM | 9.05 | Minimal drug concentration necessary to inhibit incorporation of [3H]thymidine i... | 10780911 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10780911 | 10.1021/jm990514c | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine