Compound Detail
CHEMBL3696221
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CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(C(=O)NC3CCN(CC4CCCCC4)CC3)no2)cc1
Basic Information
| ChEMBL ID | CHEMBL3696221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUGIJXRXAAZKMD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
534.7
MW (Da)
5.39
ALogP
8
HBA
3
HBD
111.3
PSA (Ų)
0.35
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 9.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha CHEMBL3880 | Kd | 9.73 | 9.73 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha | Kd | = | 0.188 | nM | 9.73 | Biacore Assay: The evaluation of the binding affinity (KD) of the compounds of f... | - |
Data from ChEMBL 36 via Core Engine