Compound Detail
CHEMBL470648
GYROPHORIC ACID Enter ChEMBL ID:
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Cc1cc(OC(=O)c2c(C)cc(OC(=O)c3c(C)cc(O)cc3O)cc2O)cc(O)c1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL470648 |
| Name | GYROPHORIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATQPZSQVWCPVGV-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
468.4
MW (Da)
3.57
ALogP
9
HBA
5
HBD
170.8
PSA (Ų)
0.28
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.77
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HaCaT | IC50 | = | 1700.0 | nM | 5.77 | Antiproliferative activity against human HaCaT cells | 10395495 |
| Unchecked | IC50 | = | 59700.0 | nM | 4.22 | Inhibition of light-dependent proton uptake in spinach leaves chloroplast | 11076561 |
| Unchecked | IC50 | = | 87100.0 | nM | 4.06 | Inhibition of photosynthetic phosphorylation from water to methyl viologen in sp... | 11076561 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11076561 | 10.1021/np0001326 | Unchecked | 21 |
| 11076561 | 10.1021/np0001326 | Amaranthus hypochondriacus | 2 |
| 11076561 | 10.1021/np0001326 | Echinochloa crus-galli | 2 |
| 10395494 | 10.1021/np9803777 | Unchecked | 2 |
| 10395495 | 10.1021/np980378z | HaCaT | 2 |
| 10395494 | 10.1021/np9803777 | PMNL | 1 |
| 10395494 | 10.1021/np9803777 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine