Compound Detail
CHEMBL1407961
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Basic Information
| ChEMBL ID | CHEMBL1407961 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISAAEPNCJSJWPZ-UHFFFAOYSA-N |
10
Targets
15
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
487.0
MW (Da)
2.74
ALogP
7
HBA
1
HBD
126.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 9 meas. best 6.18
IC50 6 meas. best 5.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 6.18 | 5.7133 | 660.0 | 3 |
| Protein RecA CHEMBL1741171 | EC50 | 5.96 | 5.96 | 1110.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | IC50 | 5.93 | 5.93 | 1172.0 | 1 |
| CHO CHEMBL613853 | IC50 | 5.72 | 5.72 | 1910.0 | 1 |
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 5.49 | 5.49 | 3233.0 | 1 |
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 5.23 | 5.23 | 5897.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.08 | 5.08 | 8336.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.01 | 4.9633 | 9685.0 | 3 |
| Beta Lactamase CHEMBL1293246 | IC50 | 4.96 | 4.96 | 11063.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.88 | 4.83 | 13239.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine