Compound Detail
CHEMBL5998458
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CCOc1ccccc1CN(Cc1ccco1)S(=O)(=O)c1ccc(S(=O)(=O)N(CC)C2CCCCC2)cc1
Basic Information
| ChEMBL ID | CHEMBL5998458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIARGAFTOCMSHP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
560.7
MW (Da)
5.41
ALogP
6
HBA
0
HBD
97.1
PSA (Ų)
0.29
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 16.0 | nM | 7.8 | Fluorescence Polarization Assay: Binding to PDEδ was validated and quantified by... | - |
Data from ChEMBL 36 via Core Engine