Compound Detail
CHEMBL1584754
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Basic Information
| ChEMBL ID | CHEMBL1584754 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROSMVKYGUGVMNU-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
251.2
MW (Da)
2.61
ALogP
3
HBA
1
HBD
68.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.22
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.22 | 5.7 | 597.0 | 4 |
| Calpain-2 catalytic subunit CHEMBL4143 | IC50 | 5.8 | 5.8 | 1588.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 597.0 | nM | 6.22 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 650.0 | nM | 6.19 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Calpain-2 catalytic subunit | IC50 | = | 1588.43 | nM | 5.8 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of a... | - |
| Unchecked | EC50 | = | 4160.0 | nM | 5.38 | PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7 cel... | - |
| Unchecked | EC50 | = | 9830.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7K ce... | - |
Data from ChEMBL 36 via Core Engine