Compound Detail
CHEMBL5563022
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CN(C)CCNc1cc(-c2ccc(Oc3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2)cc(O)c1C#N
Basic Information
| ChEMBL ID | CHEMBL5563022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQAOBUOMBFDNLS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
485.7
MW (Da)
7.29
ALogP
5
HBA
2
HBD
68.5
PSA (Ų)
0.37
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.06 | 6.06 | 880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 880.0 | nM | 6.06 | Inhibition of N-terminal 6xHis tagged human Hsp70 expressed in Escherichia coli ... | 39012838 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39012838 | 10.1021/acs.jmedchem.4c00780 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine