Compound Detail
CHEMBL1531320
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Basic Information
| ChEMBL ID | CHEMBL1531320 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSRQWJVOVDOTOW-UHFFFAOYSA-N |
10
Targets
12
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
285.2
MW (Da)
2.02
ALogP
5
HBA
2
HBD
92.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 8 meas. best 6.54
IC50 4 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Luciferin 4-monooxygenase CHEMBL5567 | EC50 | 6.54 | 6.54 | 288.0 | 1 |
| Sphingosine 1-phosphate receptor 4 CHEMBL3230 | EC50 | 5.74 | 5.74 | 1840.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.74 | 5.74 | 1816.0 | 1 |
| Sphingosine 1-phosphate receptor 2 CHEMBL2955 | EC50 | 5.48 | 5.48 | 3284.0 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 5.45 | 5.45 | 3569.5 | 1 |
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | EC50 | 5.3 | 5.3 | 5050.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.23 | 5.23 | 5855.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.1 | 5.1 | 7991.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.99 | 4.97 | 10156.0 | 2 |
| Streptococcus CHEMBL612313 | EC50 | 4.88 | 4.88 | 13320.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 4.84 | 4.84 | 14298.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine