Compound Detail
CHEMBL3559910
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Basic Information
| ChEMBL ID | CHEMBL3559910 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHYAEOHAHADHAM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
266.2
MW (Da)
3.33
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.62 | 4.345 | 24000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 24000.0 | nM | 4.62 | PubChem BioAssay. Dry powder Dose response confirmation of uHTS inhibitor hits ... | - |
| Unchecked | IC50 | = | 85360.0 | nM | 4.07 | PubChem BioAssay. Dry powder Dose response confirmation uHTS inhibitor hits of t... | - |
Data from ChEMBL 36 via Core Engine