Compound Detail
CHEMBL391533
COROSOLIC ACID Enter ChEMBL ID:
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C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12
Basic Information
| ChEMBL ID | CHEMBL391533 |
| Name | COROSOLIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFGSQOYIOKBQOW-ZSDYHTTISA-N |
18
Targets
29
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
472.7
MW (Da)
6.06
ALogP
3
HBA
3
HBD
77.8
PSA (Ų)
0.41
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 23 meas. best 6.09
EC50 4 meas. best 6.3
Ki 2 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled bile acid receptor 1 CHEMBL5409 | EC50 | 6.3 | 6.3 | 500.0 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 6.09 | 6.09 | 810.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.82 | 5.82 | 1500.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.55 | 5.55 | 2813.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.55 | 5.55 | 2794.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.54 | 5.54 | 2920.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 5.49 | 5.49 | 3270.0 | 1 |
| NCI-N87 CHEMBL614197 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.26 | 5.235 | 5490.0 | 4 |
| SK-OV-3 CHEMBL614925 | IC50 | 4.98 | 4.78 | 10510.0 | 2 |
| Tyrosine-protein phosphatase non-receptor type 2 CHEMBL3807 | IC50 | 4.95 | 4.95 | 11310.0 | 1 |
| DNA polymerase beta CHEMBL2392 | IC50 | 4.9 | 4.9 | 12600.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.76 | 4.73 | 17200.0 | 2 |
| Glycogen phosphorylase, muscle form CHEMBL4696 | IC50 | 4.7 | 4.7 | 19952.6 | 4 |
| Glycogen phosphorylase, muscle form CHEMBL3526 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Ubiquitin carboxyl-terminal hydrolase 7 CHEMBL2157850 | IC50 | 4.64 | 4.64 | 22700.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 6 CHEMBL3166 | IC50 | 4.61 | 4.61 | 24560.0 | 1 |
| Pancreatic alpha-amylase CHEMBL5730 | IC50 | 4.51 | 4.51 | 31200.0 | 1 |
| BV-2 CHEMBL614781 | IC50 | 4.33 | 4.33 | 47100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine