Compound Detail
CHEMBL1578027
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Basic Information
| ChEMBL ID | CHEMBL1578027 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMHNLOGQNWJKNF-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1626114 |
| Active Moiety | CHEMBL1626114 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
311.9
MW (Da)
3.81
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.39 | 5.025 | 4045.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4045.0 | nM | 5.39 | PubChem BioAssay. Dry powder dose response confirmation of uHTS inhibitor hits ... | - |
| Unchecked | IC50 | = | 21931.67 | nM | 4.66 | PubChem BioAssay. Dry powder dose response confirmation of uHTS inhibitor hits o... | - |
Data from ChEMBL 36 via Core Engine