Compound Detail
CHEMBL1540477
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Basic Information
| ChEMBL ID | CHEMBL1540477 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWESOJDUGFHHBI-UHFFFAOYSA-N |
6
Targets
8
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
5.04
ALogP
4
HBA
2
HBD
67.4
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.65
IC50 3 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | IC50 | 5.74 | 5.615 | 1836.5 | 2 |
| Nucleotide-binding oligomerization domain-containing protein 2 CHEMBL1293266 | EC50 | 5.65 | 5.65 | 2220.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.62 | 5.62 | 2382.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.57 | 5.57 | 2683.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.02 | 5.02 | 9607.0 | 1 |
| HEK293 CHEMBL614818 | EC50 | 4.91 | 4.91 | 12200.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.75 | 4.75 | 17713.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine