Compound Detail
CHEMBL239075
EUSCAPHIC ACID Enter ChEMBL ID:
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C[C@@H]1CC[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]2[C@]1(C)O
Basic Information
| ChEMBL ID | CHEMBL239075 |
| Name | EUSCAPHIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXVUXGFZHDKYLS-QUFHAEKXSA-N |
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
488.7
MW (Da)
5.18
ALogP
4
HBA
4
HBD
98.0
PSA (Ų)
0.38
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.54 | 4.31 | 28800.0 | 2 |
| K562 CHEMBL385 | IC50 | 4.12 | 4.12 | 76710.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.02 | 4.02 | 95580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 28800.0 | nM | 4.54 | Antiinflammatory activity in human PMNC assessed as inhibition of proliferation | 11473413 |
| K562 | IC50 | = | 76710.0 | nM | 4.12 | Cytotoxicity against human K562 cells assessed as cell viability after 48 hrs by... | 17889544 |
| NON-PROTEIN TARGET | IC50 | = | 83790.0 | nM | 4.08 | Cytotoxicity against human multidrug resistant Lucena1 cells assessed as cell vi... | 17889544 |
| A549 | IC50 | = | 95580.0 | nM | 4.02 | Cytotoxicity against human A549 cells assessed as cell viability | 17889544 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17889544 | 10.1016/j.bmc.2007.07.020 | K562 | 8 |
| 17889544 | 10.1016/j.bmc.2007.07.020 | Unchecked | 3 |
| 23632365 | 10.1016/j.bmc.2013.03.018 | Unchecked | 2 |
| 25245917 | 10.1021/np500509q | RAW264.7 | 2 |
| 1279126 | 10.1021/np50086a006 | ADMET | 2 |
| 32345458 | 10.1016/j.bmc.2020.115527 | Tyrosyl-DNA phosphodiesterase 1 | 2 |
| 1279126 | 10.1021/np50086a006 | Human immunodeficiency virus 1 | 2 |
| 17889544 | 10.1016/j.bmc.2007.07.020 | NON-PROTEIN TARGET | 1 |
| 1279126 | 10.1021/np50086a006 | Sindbis virus | 1 |
| 1279126 | 10.1021/np50086a006 | rhinovirus A1B | 1 |
| 1279126 | 10.1021/np50086a006 | C8166 | 1 |
| 11473413 | 10.1021/np0100237 | NON-PROTEIN TARGET | 1 |
| 17279798 | 10.1021/np060534z | MCF7 | 1 |
| 17889544 | 10.1016/j.bmc.2007.07.020 | A549 | 1 |
| 17889544 | 10.1016/j.bmc.2007.07.020 | Caco-2 | 1 |
| 29353722 | 10.1016/j.ejmech.2018.01.011 | Huh-7 | 1 |
| 17279798 | 10.1021/np060534z | HUVEC | 1 |
| 17279798 | 10.1021/np060534z | TERT-RPE1 | 1 |
| 17279798 | 10.1021/np060534z | LNCaP | 1 |
| 17279798 | 10.1021/np060534z | Col2 | 1 |
Data from ChEMBL 36 via Core Engine