Compound Detail
CHEMBL485099
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Basic Information
| ChEMBL ID | CHEMBL485099 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCQGLIFMOHCDGN-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
2.81
ALogP
3
HBA
3
HBD
66.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 5.62
IC50 1 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Troponin C, slow skeletal and cardiac muscles CHEMBL2066 | Kd | 5.62 | 5.35 | 2400.0 | 2 |
| Troponin C, slow skeletal and cardiac muscles CHEMBL2066 | IC50 | 4.37 | 4.37 | 42500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Troponin C, slow skeletal and cardiac muscles | Kd | = | 2400.0 | nM | 5.62 | Binding affinity to human BADAN labeled cardiac troponin C expressed in Escheric... | 38505838 |
| Troponin C, slow skeletal and cardiac muscles | Kd | = | 8400.0 | nM | 5.08 | Binding affinity to human recombinant full length N-terminal Alexa647-NHS labele... | 38505838 |
| Troponin C, slow skeletal and cardiac muscles | IC50 | = | 42500.0 | nM | 4.37 | Displacement of N-terminal FAM labeled cTNI switch peptide probe from human full... | 38505838 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38505838 | 10.1021/acsmedchemlett.3c00511 | Troponin C, slow skeletal and cardiac muscles | 3 |
Data from ChEMBL 36 via Core Engine