Compound Detail
CHEMBL1866687
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Cn1c(SCC(=O)Nc2ccc3nc(SCC(=O)c4ccc(Cl)cc4)sc3c2)nnc1-c1ccc(N)cc1
Basic Information
| ChEMBL ID | CHEMBL1866687 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHTRHPAXSGECDV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
581.1
MW (Da)
6.03
ALogP
10
HBA
2
HBD
115.8
PSA (Ų)
0.12
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 4.39 | 4.39 | 40600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein phosphatase 3 | IC50 | = | 40600.0 | nM | 4.39 | PUBCHEM_BIOASSAY: SAR VHR1 Fluorescent Assay for In Vitro dose response studies ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28482218 | 10.1016/j.ejmech.2017.04.074 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine