Compound Detail
CHEMBL4169467
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Basic Information
| ChEMBL ID | CHEMBL4169467 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKNVYNASIZRNMH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
396.6
MW (Da)
6.54
ALogP
3
HBA
1
HBD
26.2
PSA (Ų)
0.41
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vero C1008 CHEMBL4303840 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vero C1008 | IC50 | = | 10000.0 | nM | 5.0 | Cytotoxicity against African green monkey Vero E6 cells assessed as cell growth ... | 29894180 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29894180 | 10.1021/acs.jmedchem.8b00777 | Mycobacterium tuberculosis variant bovis BCG | 2 |
| 29894180 | 10.1021/acs.jmedchem.8b00777 | Erythrocyte | 1 |
| 29894180 | 10.1021/acs.jmedchem.8b00777 | Unchecked | 1 |
| 29894180 | 10.1021/acs.jmedchem.8b00777 | Vero C1008 | 1 |
Data from ChEMBL 36 via Core Engine