Compound Detail
CHEMBL3039775
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Basic Information
| ChEMBL ID | CHEMBL3039775 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKSNAGMUEYRBPX-REZTVBANSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
310.1
MW (Da)
2.86
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.27
IC50 3 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.27 | 5.27 | 5380.0 | 1 |
| Ion channel NompC CHEMBL1293245 | EC50 | 5.19 | 5.19 | 6490.0 | 1 |
| Mucolipin-3 CHEMBL1293243 | EC50 | 4.85 | 4.85 | 14200.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.7 | 4.54 | 20185.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 5380.0 | nM | 5.27 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| Ion channel NompC | EC50 | = | 6490.0 | nM | 5.19 | PUBCHEM_BIOASSAY: Dose response cell-based high-throughput screening assay for a... | - |
| Mucolipin-3 | EC50 | = | 14200.0 | nM | 4.85 | PUBCHEM_BIOASSAY: Fluorescence counterscreen assay for TRPN1 agonists: dose resp... | - |
| Unchecked | IC50 | = | 20185.0 | nM | 4.7 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
| Unchecked | IC50 | = | 33680.0 | nM | 4.47 | PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... | - |
| Unchecked | IC50 | = | 35250.0 | nM | 4.45 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
Data from ChEMBL 36 via Core Engine