Compound Detail
CHEMBL34157
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Basic Information
| ChEMBL ID | CHEMBL34157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIYMBNHBYRRDID-UXJRWBAGSA-M |
| Parent Compound | CHEMBL1178600 |
| Active Moiety | CHEMBL1178600 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
380.5
MW (Da)
1.66
ALogP
5
HBA
0
HBD
38.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KB CHEMBL398 | IC50 | 5.43 | 5.43 | 3730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KB | IC50 | = | 3730.0 | nM | 5.43 | In vitro inhibition of growth of KB cells (cytotoxic assay). | 9438030 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9438030 | 10.1021/jm970590k | CX-1 | 1 |
| 9438030 | 10.1021/jm970590k | KB | 1 |
Data from ChEMBL 36 via Core Engine