Compound Detail
CHEMBL1440300
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Basic Information
| ChEMBL ID | CHEMBL1440300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDVKVCVAEINLGA-YPKPFQOOSA-N |
12
Targets
18
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
374.7
MW (Da)
4.73
ALogP
2
HBA
1
HBD
52.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 6.28
EC50 7 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 6.48 | 6.09 | 331.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.28 | 5.37 | 530.0 | 5 |
| Sphingosine 1-phosphate receptor 4 CHEMBL3230 | IC50 | 6.27 | 6.27 | 541.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 6.03 | 6.03 | 935.0 | 1 |
| CHO CHEMBL613853 | IC50 | 5.93 | 5.93 | 1178.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.82 | 5.82 | 1527.0 | 1 |
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.46 | 5.46 | 3496.0 | 1 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 5.45 | 5.45 | 3558.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.29 | 5.29 | 5143.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.16 | 5.16 | 6874.0 | 1 |
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | IC50 | 4.99 | 4.99 | 10270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine