Compound Detail
CHEMBL4557539
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Basic Information
| ChEMBL ID | CHEMBL4557539 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRNMTGFWQSTGTC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
3.80
ALogP
6
HBA
2
HBD
80.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| T47D CHEMBL614361 | IC50 | 4.01 | 4.01 | 97600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| T47D | IC50 | = | 97600.0 | nM | 4.01 | Cytotoxicity in human T47D cells assessed as reduction in cell viability incubat... | - |
Data from ChEMBL 36 via Core Engine