Compound Detail
CHEMBL2035568
CALONCOBIC ACID A Enter ChEMBL ID:
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C=C(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@@]2(C(=O)O)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL2035568 |
| Name | CALONCOBIC ACID A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYVTXPULSBCSAB-CMWTXFCNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
470.7
MW (Da)
6.41
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.44
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 6.98 | 6.98 | 105.0 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL3910 | IC50 | 6.88 | 6.88 | 132.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 105.0 | nM | 6.98 | Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion... | 22360639 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 132.0 | nM | 6.88 | Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as conversion... | 22360639 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22360639 | 10.1021/np200831c | 11-beta-hydroxysteroid dehydrogenase 1 | 2 |
| 22360639 | 10.1021/np200831c | 11-beta-hydroxysteroid dehydrogenase type 2 | 2 |
Data from ChEMBL 36 via Core Engine