Compound Detail
CHEMBL567130
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Basic Information
| ChEMBL ID | CHEMBL567130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCGFIJGOECVRBW-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
4.74
ALogP
6
HBA
1
HBD
83.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.11
EC50 2 meas. best 4.84
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 7809.0 | nM | 5.11 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Unchecked | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of Beta-lactamase AmpC by quantitative high throughput screening | 19908840 |
| Unchecked | EC50 | = | 14450.0 | nM | 4.84 | PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7 cel... | - |
| Unchecked | EC50 | = | 15660.0 | nM | 4.8 | PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7K ce... | - |
| Cruzipain | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of Trypanosoma cruzi cruzain by Flexstation microplate spectrofluorim... | 19908840 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19908840 | 10.1021/jm901070c | Cruzipain | 2 |
| 19908840 | 10.1021/jm901070c | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine