Compound Detail
CHEMBL1568748
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Basic Information
| ChEMBL ID | CHEMBL1568748 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVKXCFPICVDNLS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
279.4
MW (Da)
3.12
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.44 | 4.905 | 3666.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3666.67 | nM | 5.44 | PubChem BioAssay. Dry powder dose response confirmation of uHTS inhibitor hits ... | - |
| Unchecked | IC50 | = | 42823.33 | nM | 4.37 | PubChem BioAssay. Dry powder dose response confirmation of uHTS inhibitor hits o... | - |
Data from ChEMBL 36 via Core Engine