Compound Detail
CHEMBL1398812
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Basic Information
| ChEMBL ID | CHEMBL1398812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXXDTEHNGZLGFT-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
2.51
ALogP
6
HBA
0
HBD
85.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.38
IC50 2 meas. best 4.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Troponin, cardiac muscle CHEMBL2095202 | EC50 | 6.38 | 6.38 | 413.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.93 | 5.93 | 1165.0 | 1 |
| Beta-lactamase CHEMBL1293260 | IC50 | 4.65 | 4.65 | 22419.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 4.24 | 4.24 | 57858.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Troponin, cardiac muscle | EC50 | = | 413.02 | nM | 6.38 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Unchecked | EC50 | = | 1165.0 | nM | 5.93 | PUBCHEM_BIOASSAY: Counterscreen for activators of the calcium sensitivity of car... | - |
| Beta-lactamase | IC50 | = | 22419.0 | nM | 4.65 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Beta Lactamase | IC50 | = | 57858.0 | nM | 4.24 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
Data from ChEMBL 36 via Core Engine