Compound Detail
CHEMBL518923
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Basic Information
| ChEMBL ID | CHEMBL518923 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPUCXGWTZVUGQB-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
3.45
ALogP
6
HBA
1
HBD
64.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.7
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 200.0 | nM | 6.7 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
| Unchecked | IC50 | = | 4490.0 | nM | 5.35 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| SK-BR-3 | IC50 | = | 9000.0 | nM | 5.05 | Cytotoxicity against human SKBr3 cells after 72 hrs by MTT assay | 18500794 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18500794 | 10.1021/jm7013875 | SK-BR-3 | 1 |
| - | 10.6019/CHEMBL2095176 | Mycobacterium tuberculosis variant bovis BCG | 1 |
| - | 10.6019/CHEMBL2095176 | Mycobacterium tuberculosis H37Rv | 1 |
| 23927683 | 10.1021/jm400381v | Mycobacterium tuberculosis | 1 |
| 28576632 | 10.1016/j.bmc.2017.05.030 | Mycobacterium tuberculosis | 1 |
| 28576632 | 10.1016/j.bmc.2017.05.030 | HepG2 | 1 |
| 28576632 | 10.1016/j.bmc.2017.05.030 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine