Compound Detail
CHEMBL1504676
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Basic Information
| ChEMBL ID | CHEMBL1504676 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDDQZHYZCTUTIU-KPKJPENVSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
321.3
MW (Da)
3.35
ALogP
5
HBA
2
HBD
91.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ion channel NompC CHEMBL1293245 | EC50 | 5.44 | 5.44 | 3620.0 | 1 |
| Troponin, cardiac muscle CHEMBL2095202 | EC50 | 5.31 | 5.31 | 4888.0 | 1 |
| Mucolipin-3 CHEMBL1293243 | EC50 | 5.05 | 5.05 | 8880.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.96 | 4.96 | 11086.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ion channel NompC | EC50 | = | 3620.0 | nM | 5.44 | PUBCHEM_BIOASSAY: Dose response cell-based high-throughput screening assay for a... | - |
| Troponin, cardiac muscle | EC50 | = | 4888.0 | nM | 5.31 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Mucolipin-3 | EC50 | = | 8880.0 | nM | 5.05 | PUBCHEM_BIOASSAY: Fluorescence counterscreen assay for TRPN1 agonists: dose resp... | - |
| Unchecked | EC50 | = | 11086.0 | nM | 4.96 | PUBCHEM_BIOASSAY: Counterscreen for activators of the calcium sensitivity of car... | - |
Data from ChEMBL 36 via Core Engine