Compound Detail
CHEMBL1594922
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Basic Information
| ChEMBL ID | CHEMBL1594922 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCSUQZLXYTZUSA-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
318.2
MW (Da)
5.23
ALogP
3
HBA
1
HBD
29.9
PSA (Ų)
0.72
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.67
EC50 1 meas. best 4.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.67 | 4.67 | 21270.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | EC50 | 4.29 | 4.29 | 51000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 21270.0 | nM | 4.67 | PubChem BioAssay. Counterscreen for exosite inhibitors of ADAM17: Fluorescence r... | - |
| Alkaline phosphatase, germ cell type | EC50 | = | 51000.0 | nM | 4.29 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical activators of ... | - |
Data from ChEMBL 36 via Core Engine