Compound Detail
CHEMBL1534849
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Basic Information
| ChEMBL ID | CHEMBL1534849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJZQPEUGCZRGBA-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
4.02
ALogP
4
HBA
0
HBD
59.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.29 | 5.086 | 5090.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5090.0 | nM | 5.29 | PubChem BioAssay. SAR analysis of small molecule modulators of myocardial damage... | - |
| Unchecked | IC50 | = | 6900.0 | nM | 5.16 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | IC50 | = | 8700.0 | nM | 5.06 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | IC50 | = | 11000.0 | nM | 4.96 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | IC50 | = | 11000.0 | nM | 4.96 | PubChem BioAssay. SAR analysis of small molecule modulators of myocardial damage... | - |
Data from ChEMBL 36 via Core Engine