Compound Detail
CHEMBL2024567
ENGLERIN A Enter ChEMBL ID:
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CC(C)[C@@]12C[C@@H](OC(=O)CO)[C@@](C)(O1)[C@@H]1CC[C@@H](C)[C@H]1[C@@H]2OC(=O)/C=C/c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL2024567 |
| Name | ENGLERIN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GACOFEKSDCOVMV-RRYXBOBMSA-N |
2
Targets
2
Activities
2
Assay Types
1
PK Parameters
20
Publications
0
Known Names
Molecular Properties
442.6
MW (Da)
3.77
ALogP
6
HBA
1
HBD
82.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.12
IC50 1 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Short transient receptor potential channel 5 CHEMBL1250411 | EC50 | 8.12 | 8.12 | 7.6 | 1 |
| A498 CHEMBL614516 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.5 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Short transient receptor potential channel 5 | EC50 | = | 7.59 | nM | 8.12 | Agonist activity at human TRPC5 stably expressed in HEK293 cells assessed as inc... | 36105325 |
| A498 | IC50 | = | 45.0 | nM | 7.35 | Cytotoxicity against human A498 cells assessed as reduction in cell viability | 28170253 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32944138 | 10.1021/acsmedchemlett.0c00186 | TRPC4/TRPC1 | 3 |
| 27107948 | 10.1016/j.bmcl.2016.04.016 | A498 | 2 |
| 27107948 | 10.1016/j.bmcl.2016.04.016 | NON-PROTEIN TARGET | 2 |
| 27107948 | 10.1016/j.bmcl.2016.04.016 | Mus musculus | 2 |
| 36105325 | 10.1021/acsmedchemlett.2c00258 | ADMET | 1 |
| 22280462 | 10.1021/np200905u | 786-0 | 1 |
| 32944138 | 10.1021/acsmedchemlett.0c00186 | RXF 393 | 1 |
| 32944138 | 10.1021/acsmedchemlett.0c00186 | UO-31 | 1 |
| 32944138 | 10.1021/acsmedchemlett.0c00186 | A498 | 1 |
| 28170253 | 10.1021/acs.jnatprod.6b01167 | Plasma | 1 |
| 28170253 | 10.1021/acs.jnatprod.6b01167 | Mus musculus | 1 |
| 28170253 | 10.1021/acs.jnatprod.6b01167 | A498 | 1 |
| 27107948 | 10.1016/j.bmcl.2016.04.016 | Protein kinase C (PKC) | 1 |
| 27107948 | 10.1016/j.bmcl.2016.04.016 | No relevant target | 1 |
| 22280462 | 10.1021/np200905u | UO-31 | 1 |
| 22280462 | 10.1021/np200905u | TK-10 | 1 |
| 22280462 | 10.1021/np200905u | SN12C | 1 |
| 22280462 | 10.1021/np200905u | RXF 393 | 1 |
| 22280462 | 10.1021/np200905u | CAKI-1 | 1 |
| 22280462 | 10.1021/np200905u | ACHN | 1 |
Data from ChEMBL 36 via Core Engine