Compound Detail
CHEMBL499003
DIHYDRO COSTUNOLIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL499003 |
| Name | DIHYDRO COSTUNOLIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVDMFKGCVWVONO-BSTGVKIKSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
234.3
MW (Da)
3.63
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.08
IC50 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Taste receptor type 2 member 46 CHEMBL4523253 | EC50 | 5.08 | 5.08 | 8300.0 | 1 |
| T-cell CHEMBL614309 | IC50 | 4.82 | 4.82 | 14990.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Taste receptor type 2 member 46 | EC50 | = | 8300.0 | nM | 5.08 | Agonist activity at recombinant human N-terminal rat ST3 receptor-fused TAS2R46 ... | - |
| T-cell | IC50 | = | 14990.0 | nM | 4.82 | Immunomodulatory activity in C57BL/6 mouse mesenteric lymph node T cells assesse... | 37017305 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18579374 | 10.1016/j.bmcl.2008.06.008 | COLO 205 | 1 |
| 18579374 | 10.1016/j.bmcl.2008.06.008 | A-431 | 1 |
| 18579374 | 10.1016/j.bmcl.2008.06.008 | MCF7 | 1 |
| 18579374 | 10.1016/j.bmcl.2008.06.008 | A549 | 1 |
| 37017305 | 10.1021/acs.jmedchem.2c01856 | T-cell | 1 |
| 37017305 | 10.1021/acs.jmedchem.2c01856 | Pyruvate kinase PKM | 1 |
Data from ChEMBL 36 via Core Engine