Compound Detail
CHEMBL1446971
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Basic Information
| ChEMBL ID | CHEMBL1446971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKDAPNQXQZDJTM-KHPPLWFESA-N |
10
Targets
13
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
3.66
ALogP
5
HBA
1
HBD
90.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.04
EC50 6 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 4 CHEMBL3230 | IC50 | 6.04 | 5.89 | 913.0 | 2 |
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 5.34 | 5.34 | 4590.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.33 | 5.18 | 4730.0 | 2 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 5.29 | 5.29 | 5090.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.16 | 4.845 | 6930.0 | 2 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.13 | 5.13 | 7344.0 | 1 |
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 5.01 | 5.01 | 9860.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.91 | 4.91 | 12255.0 | 1 |
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | IC50 | 4.72 | 4.72 | 18830.0 | 1 |
| C-C chemokine receptor type 6 CHEMBL4423 | IC50 | 4.58 | 4.58 | 26600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine