Compound Detail
CHEMBL1374970
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Basic Information
| ChEMBL ID | CHEMBL1374970 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPDGNJGNQFUCDJ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1618732 |
| Active Moiety | CHEMBL1618732 |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
314.8
MW (Da)
5.46
ALogP
5
HBA
1
HBD
63.6
PSA (Ų)
0.65
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.32
IC50 2 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.32 | 5.32 | 4776.0 | 1 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.2 | 5.2 | 6248.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.06 | 5.06 | 8650.0 | 1 |
| Matrix metalloproteinase-14 CHEMBL3869 | IC50 | 4.55 | 4.55 | 28000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 4776.0 | nM | 5.32 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 6248.0 | nM | 5.2 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | IC50 | = | 8650.0 | nM | 5.06 | PubChem BioAssay. QFRET-based biochemical high throughput dose response assay to... | - |
| Matrix metalloproteinase-14 | IC50 | = | 28000.0 | nM | 4.55 | PubChem BioAssay. Dose Response confirmation of uHTS hits for a small molecule i... | - |
Data from ChEMBL 36 via Core Engine