Compound Detail
CHEMBL1519955
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Basic Information
| ChEMBL ID | CHEMBL1519955 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYPQKNLHCFKMRM-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
374.9
MW (Da)
3.55
ALogP
6
HBA
0
HBD
41.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.36
IC50 1 meas. best 5.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.36 | 7.36 | 44.0 | 1 |
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 5.95 | 5.95 | 1134.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 44.0 | nM | 7.36 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| COUP transcription factor 2 | IC50 | = | 1134.0 | nM | 5.95 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
Data from ChEMBL 36 via Core Engine