Compound Detail
CHEMBL2023382
ELAEOCARPUCIN G Enter ChEMBL ID:
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CC(C)=C[C@@H]1O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)C(=O)C[C@]3(C)[C@H]2[C@@](C)(O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL2023382 |
| Name | ELAEOCARPUCIN G |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJWDHAWGQLFXQP-WJOUMQMESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
486.7
MW (Da)
4.59
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 2900.0 | nM | 5.54 | Cytotoxicity against human HT-29 cells after 3 days by sulforhodamine B assay | 22239601 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22239601 | 10.1021/np200879p | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine