Compound Detail
CHEMBL1570587
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Basic Information
| ChEMBL ID | CHEMBL1570587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCWZGXUWCPFMLD-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
415.2
MW (Da)
2.90
ALogP
4
HBA
2
HBD
92.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.76
EC50 2 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.67 | 5.615 | 2126.0 | 2 |
| Hexokinase HKDC1 CHEMBL1741200 | IC50 | 4.76 | 4.585 | 17300.0 | 2 |
| C-C chemokine receptor type 6 CHEMBL4423 | IC50 | 4.55 | 4.55 | 28200.0 | 1 |
| Polyadenylate-binding protein 1 CHEMBL1293286 | IC50 | 4.35 | 4.35 | 44500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 2126.0 | nM | 5.67 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Unchecked | EC50 | = | 2777.0 | nM | 5.56 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
| Hexokinase HKDC1 | IC50 | = | 17300.0 | nM | 4.76 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of hexokinase domain ... | - |
| C-C chemokine receptor type 6 | IC50 | = | 28200.0 | nM | 4.55 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of th... | - |
| Hexokinase HKDC1 | IC50 | = | 39200.0 | nM | 4.41 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of hexokinase domain ... | - |
| Polyadenylate-binding protein 1 | IC50 | = | 44500.0 | nM | 4.35 | PUBCHEM_BIOASSAY: Dose-response secondary confirmation of microRNA-mediated mRNA... | - |
Data from ChEMBL 36 via Core Engine