Compound Detail
CHEMBL1573529
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Basic Information
| ChEMBL ID | CHEMBL1573529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UIKDDODRJJDDNG-WOJGMQOQSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
3.69
ALogP
4
HBA
1
HBD
74.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.0
IC50 3 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| Troponin, cardiac muscle CHEMBL2095202 | EC50 | 6.29 | 6.29 | 515.8 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.99 | 5.99 | 1036.0 | 1 |
| Protein skinhead-1 CHEMBL2146298 | IC50 | 4.91 | 4.77 | 12200.0 | 2 |
| Bifunctional protein GlmU CHEMBL1293297 | IC50 | 4.42 | 4.42 | 37680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 | EC50 | = | 100.0 | nM | 7.0 | PUBCHEM_BIOASSAY: E3 Ligase dose-response_384. (Class of assay: confirmatory) [R... | - |
| Troponin, cardiac muscle | EC50 | = | 515.79 | nM | 6.29 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Unchecked | EC50 | = | 1036.0 | nM | 5.99 | PUBCHEM_BIOASSAY: Counterscreen for activators of the calcium sensitivity of car... | - |
| Protein skinhead-1 | IC50 | = | 12200.0 | nM | 4.91 | PubChem BioAssay. Dose ResponseConfirmation of SKN-1 Inhibitor hits in a fluores... | - |
| Protein skinhead-1 | IC50 | = | 23300.0 | nM | 4.63 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
| Bifunctional protein GlmU | IC50 | = | 37680.0 | nM | 4.42 | PUBCHEM_BIOASSAY: Inhibitors of Mycobacterial Glucosamine-1-phosphate acetyl tra... | - |
Data from ChEMBL 36 via Core Engine