Compound Detail
CHEMBL1971695
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1971695 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTHWNIFJCLSQMT-GIJQJNRQSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
1.35
ALogP
6
HBA
1
HBD
96.2
PSA (Ų)
0.34
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Troponin, cardiac muscle CHEMBL2095202 | EC50 | 5.73 | 5.73 | 1863.0 | 1 |
| Ion channel NompC CHEMBL1293245 | EC50 | 5.49 | 5.49 | 3270.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.3 | 5.3 | 4957.0 | 1 |
| Mucolipin-3 CHEMBL1293243 | EC50 | 5.23 | 5.23 | 5890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Troponin, cardiac muscle | EC50 | = | 1863.0 | nM | 5.73 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Ion channel NompC | EC50 | = | 3270.0 | nM | 5.49 | PUBCHEM_BIOASSAY: Dose response cell-based high-throughput screening assay for a... | - |
| Unchecked | EC50 | = | 4957.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Counterscreen for activators of the calcium sensitivity of car... | - |
| Mucolipin-3 | EC50 | = | 5890.0 | nM | 5.23 | PUBCHEM_BIOASSAY: Fluorescence counterscreen assay for TRPN1 agonists: dose resp... | - |
Data from ChEMBL 36 via Core Engine