Compound Detail
CHEMBL3560781
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Basic Information
| ChEMBL ID | CHEMBL3560781 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWNJCSHGOMXDKG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
414.6
MW (Da)
5.55
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.53
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.64 | 4.84 | 2300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2300.0 | nM | 5.64 | PubChem BioAssay. Dry powder Dose response confirmation of uHTS inhibitor hits ... | - |
| Unchecked | IC50 | = | 91450.0 | nM | 4.04 | PubChem BioAssay. Dry powder Dose response confirmation uHTS inhibitor hits of t... | - |
Data from ChEMBL 36 via Core Engine