Compound Detail
CHEMBL1545435
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Basic Information
| ChEMBL ID | CHEMBL1545435 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVUFZOYMERKZRC-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
329.8
MW (Da)
4.35
ALogP
5
HBA
0
HBD
47.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.71
EC50 1 meas. best 5.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.71 | 5.71 | 1942.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.63 | 5.63 | 2361.0 | 1 |
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit CHEMBL2164 | IC50 | 5.11 | 5.11 | 7796.0 | 1 |
| Serine/threonine-protein phosphatase CHEMBL1293265 | IC50 | 4.23 | 4.23 | 59140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1942.0 | nM | 5.71 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Unchecked | EC50 | = | 2361.0 | nM | 5.63 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit | IC50 | = | 7796.0 | nM | 5.11 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Serine/threonine-protein phosphatase | IC50 | = | 59140.0 | nM | 4.23 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of PP1: fluorescence-based bioche... | - |
Data from ChEMBL 36 via Core Engine