Compound Detail
CHEMBL1975147
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Basic Information
| ChEMBL ID | CHEMBL1975147 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRPQOMJWXREVLG-RTPYTOBHSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
3.62
ALogP
6
HBA
0
HBD
54.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.96
IC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 6.05 | 6.05 | 898.4 | 1 |
| Troponin, cardiac muscle CHEMBL2095202 | EC50 | 5.96 | 5.96 | 1101.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.3 | 5.25 | 4963.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 35 | IC50 | = | 898.37 | nM | 6.05 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists of GPR35. High conte... | - |
| Troponin, cardiac muscle | EC50 | = | 1101.0 | nM | 5.96 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Unchecked | EC50 | = | 4963.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Counterscreen for activators of the calcium sensitivity of car... | - |
| Unchecked | EC50 | = | 6270.0 | nM | 5.2 | PUBCHEM_BIOASSAY: HCS for Compounds that Up-Regulate Insulin Promoter Activity i... | - |
Data from ChEMBL 36 via Core Engine