Compound Detail
CHEMBL1576905
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Basic Information
| ChEMBL ID | CHEMBL1576905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPTNFHFZDVUNGC-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1626041 |
| Active Moiety | CHEMBL1626041 |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
289.4
MW (Da)
4.13
ALogP
1
HBA
0
HBD
8.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.16
IC50 3 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.16 | 5.745 | 690.0 | 2 |
| Troponin, cardiac muscle CHEMBL2095202 | EC50 | 5.73 | 5.73 | 1878.0 | 1 |
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 5.7 | 5.7 | 1974.9 | 1 |
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 5.55 | 5.55 | 2790.0 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 4.79 | 4.79 | 16300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 690.0 | nM | 6.16 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Troponin, cardiac muscle | EC50 | = | 1878.0 | nM | 5.73 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| G-protein coupled receptor 35 | IC50 | = | 1974.9 | nM | 5.7 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists of GPR35. High conte... | - |
| G-protein coupled receptor 55 | IC50 | = | 2790.0 | nM | 5.55 | PUBCHEM_BIOASSAY: SAR Analysis of Selective Antagonists of GPR55 using an Image-... | - |
| Unchecked | EC50 | = | 4643.0 | nM | 5.33 | PUBCHEM_BIOASSAY: Counterscreen for activators of the calcium sensitivity of car... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 16300.0 | nM | 4.79 | PUBCHEM_BIOASSAY: Dose Response confirmation of APOBEC3A DNA Deaminase Inhibitor... | - |
Data from ChEMBL 36 via Core Engine