Compound Detail
CHEMBL390320
ISOSCOPOLETIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL390320 |
| Name | ISOSCOPOLETIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYTYLPHCLSSCOJ-UHFFFAOYSA-N |
9
Targets
13
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
192.2
MW (Da)
1.51
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 4.82
Ki 6 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 5.38 | 5.38 | 4140.0 | 1 |
| Carbonic anhydrase 13 CHEMBL3912 | Ki | 5.28 | 5.28 | 5270.0 | 1 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 5.13 | 5.13 | 7370.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 4.85 | 4.85 | 14000.0 | 1 |
| Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL4358 | IC50 | 4.82 | 4.82 | 15100.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 4.8 | 4.8 | 15870.0 | 1 |
| Carbonic anhydrase 7 CHEMBL2326 | Ki | 4.62 | 4.62 | 23800.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 4.29 | 4.29 | 51480.0 | 1 |
| Aldo-keto reductase family 1 member B1 CHEMBL1900 | IC50 | 4.25 | 4.25 | 56200.0 | 1 |
| Neutrophil CHEMBL613710 | IC50 | 4.11 | 4.11 | 77520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine