Compound Detail
CHEMBL4527497
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Basic Information
| ChEMBL ID | CHEMBL4527497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYAHWUFPPHVQNW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
274.3
MW (Da)
1.86
ALogP
6
HBA
0
HBD
70.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H2171 CHEMBL2366213 | EC50 | 4.36 | 4.36 | 43500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H2171 | EC50 | = | 43500.0 | nM | 4.36 | Cytotoxic activity against human NCI-H2171 cells assessed as reduction in cell v... | - |
Data from ChEMBL 36 via Core Engine