Compound Detail
CHEMBL1605435
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Basic Information
| ChEMBL ID | CHEMBL1605435 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBRYKMCQPHIWOQ-LGMDPLHJSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
3.18
ALogP
5
HBA
0
HBD
79.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.43
IC50 2 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ion channel NompC CHEMBL1293245 | EC50 | 5.43 | 5.43 | 3710.0 | 1 |
| Mucolipin-3 CHEMBL1293243 | EC50 | 5.28 | 5.28 | 5210.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.66 | 4.605 | 21800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ion channel NompC | EC50 | = | 3710.0 | nM | 5.43 | PUBCHEM_BIOASSAY: Dose response cell-based high-throughput screening assay for a... | - |
| Mucolipin-3 | EC50 | = | 5210.0 | nM | 5.28 | PUBCHEM_BIOASSAY: Fluorescence counterscreen assay for TRPN1 agonists: dose resp... | - |
| Unchecked | IC50 | = | 21800.0 | nM | 4.66 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Unchecked | IC50 | = | 28240.0 | nM | 4.55 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
Data from ChEMBL 36 via Core Engine