Compound Detail
CHEMBL1307703
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Basic Information
| ChEMBL ID | CHEMBL1307703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RICFUAMDKSPOKF-UHFFFAOYSA-N |
1
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
456.5
MW (Da)
5.38
ALogP
6
HBA
1
HBD
86.8
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.85 | 5.2775 | 1410.0 | 8 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1410.0 | nM | 5.85 | PubChem BioAssay. SAR analysis of small molecule modulators of myocardial damage... | - |
| Unchecked | IC50 | = | 3590.0 | nM | 5.45 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | IC50 | = | 3990.0 | nM | 5.4 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | IC50 | = | 4260.0 | nM | 5.37 | PubChem BioAssay. SAR analysis of small molecule modulators of myocardial damage... | - |
| Unchecked | IC50 | = | 7150.0 | nM | 5.15 | PubChem BioAssay. SAR analysis of small molecule modulators of myocardial damage... | - |
| Unchecked | IC50 | = | 9800.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | IC50 | = | 9900.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | IC50 | = | 10300.0 | nM | 4.99 | PubChem BioAssay. SAR analysis of small molecule modulators of myocardial damage... | - |
Data from ChEMBL 36 via Core Engine