Compound Detail
CHEMBL1608106
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Basic Information
| ChEMBL ID | CHEMBL1608106 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYTRNXVWUCEWPD-RMKNXTFCSA-N |
8
Targets
12
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
459.7
MW (Da)
5.34
ALogP
4
HBA
1
HBD
72.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.39
EC50 5 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 6.06 | 5.745 | 874.0 | 2 |
| HEK293 CHEMBL614818 | IC50 | 5.39 | 5.0367 | 4060.0 | 3 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.36 | 5.36 | 4349.0 | 1 |
| HEK293 CHEMBL614818 | EC50 | 5.19 | 5.19 | 6520.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.17 | 5.17 | 6688.0 | 1 |
| Phospholipase A2 CHEMBL4426 | IC50 | 5.06 | 5.06 | 8650.0 | 1 |
| Cysteine protease ATG4B CHEMBL1741221 | IC50 | 4.87 | 4.87 | 13500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.56 | 4.56 | 27820.0 | 1 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 4.55 | 4.55 | 28000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine