Compound Detail
CHEMBL370949
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Basic Information
| ChEMBL ID | CHEMBL370949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYMJWJYHDOXJSJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
3.54
ALogP
3
HBA
1
HBD
52.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| T47D CHEMBL614361 | EC50 | 7.68 | 7.68 | 21.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| T47D | EC50 | = | 21.1 | nM | 7.68 | Effective concentration against alkaline phosphatase activity in human T47D brea... | 16078826 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16078826 | 10.1021/jm050358b | T47D | 1 |
Data from ChEMBL 36 via Core Engine