Compound Detail
CHEMBL3561086
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Basic Information
| ChEMBL ID | CHEMBL3561086 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKNKURNUKVWDPJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
460.0
MW (Da)
4.65
ALogP
5
HBA
1
HBD
71.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.83 | 4.47 | 14930.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 14930.0 | nM | 4.83 | PubChem BioAssay. Dry powder Dose response confirmation of uHTS inhibitor hits ... | - |
| Unchecked | IC50 | = | 78190.0 | nM | 4.11 | PubChem BioAssay. Dry powder Dose response confirmation uHTS inhibitor hits of t... | - |
Data from ChEMBL 36 via Core Engine