Compound Detail
CHEMBL1345866
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Basic Information
| ChEMBL ID | CHEMBL1345866 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEHUPQKRHHAPKB-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
2.66
ALogP
4
HBA
1
HBD
47.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.1
IC50 1 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Troponin, cardiac muscle CHEMBL2095202 | EC50 | 5.1 | 5.1 | 7993.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.97 | 4.97 | 10685.0 | 1 |
| Fibrinogen beta chain CHEMBL2048 | IC50 | 4.88 | 4.88 | 13076.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Troponin, cardiac muscle | EC50 | = | 7993.0 | nM | 5.1 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Unchecked | EC50 | = | 10685.0 | nM | 4.97 | PUBCHEM_BIOASSAY: Counterscreen for activators of the calcium sensitivity of car... | - |
| Fibrinogen beta chain | IC50 | = | 13076.0 | nM | 4.88 | PubChem BioAssay. Fluorescence polarization-based biochemical high throughput do... | - |
Data from ChEMBL 36 via Core Engine