Compound Detail
CHEMBL16223
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Basic Information
| ChEMBL ID | CHEMBL16223 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWRQHHJAXCNFGU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
235.3
MW (Da)
3.92
ALogP
2
HBA
1
HBD
33.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.04 | 5.99 | 910.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 910.0 | nM | 6.04 | PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7 cel... | - |
| Unchecked | EC50 | = | 1140.0 | nM | 5.94 | PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7K ce... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17447748 | 10.1021/jm061317y | Beta-lactamase | 2 |
| 8387598 | 10.1021/jm00061a005 | A549 | 1 |
| 8387598 | 10.1021/jm00061a005 | HCT-8 | 1 |
| 8387598 | 10.1021/jm00061a005 | RPMI-7951 | 1 |
| 8387598 | 10.1021/jm00061a005 | KB | 1 |
| 8387598 | 10.1021/jm00061a005 | P388 | 1 |
| 8387598 | 10.1021/jm00061a005 | L1210 (1565) | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine