Compound Detail
CHEMBL1540038
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Basic Information
| ChEMBL ID | CHEMBL1540038 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWKCIPORVGAZTO-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
374.3
MW (Da)
5.22
ALogP
4
HBA
2
HBD
71.3
PSA (Ų)
0.52
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.49
IC50 2 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.49 | 5.46 | 3240.0 | 2 |
| Phospholipase A2 CHEMBL4426 | IC50 | 5.12 | 5.12 | 7640.0 | 1 |
| Cysteine protease ATG4B CHEMBL1741221 | IC50 | 5.03 | 5.03 | 9420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 3240.0 | nM | 5.49 | PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7 cel... | - |
| Unchecked | EC50 | = | 3680.0 | nM | 5.43 | PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7K ce... | - |
| Phospholipase A2 | IC50 | = | 7640.0 | nM | 5.12 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS hits for ATG4B inhibitors ... | - |
| Cysteine protease ATG4B | IC50 | = | 9420.0 | nM | 5.03 | PUBCHEM_BIOASSAY: Dose response confirmation of the uHTS fluorescent assay for i... | - |
Data from ChEMBL 36 via Core Engine