Compound Detail
CHEMBL4437329
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Basic Information
| ChEMBL ID | CHEMBL4437329 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVXPGAUUORVOGE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
435.5
MW (Da)
6.12
ALogP
2
HBA
4
HBD
80.9
PSA (Ų)
0.25
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 31000.0 | nM | 4.51 | Cytotoxicity against human HCT116 cells incubated for 48 hrs by Celltiter-blue a... | 31534661 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31534661 | 10.1039/C9MD00177H | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine