Compound Detail
CHEMBL470768
GINKGOLIC ACID 17:1 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL470768 |
| Name | GINKGOLIC ACID 17:1 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBYNDKVOZOAOIS-FPLPWBNLSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
374.6
MW (Da)
7.28
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.24
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 6.24 | 6.24 | 573.0 | 1 |
| 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 CHEMBL5566 | IC50 | 5.65 | 4.89 | 2220.0 | 2 |
| Coagulation factor VII/tissue factor CHEMBL2095194 | IC50 | 4.17 | 4.17 | 68000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 573.0 | nM | 6.24 | Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide a... | 21641207 |
| 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 | IC50 | = | 2220.0 | nM | 5.65 | Inhibition of bovine brain PI-PLCgamma1 | 9677265 |
| Coagulation factor VII/tissue factor | IC50 | = | 68000.0 | nM | 4.17 | Inhibition of amidolytic activity of human tissue factor/human factor 7a | 9834151 |
| 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 | IC50 | = | 74020.0 | nM | 4.13 | Inhibition of bovine brain PI-PLCgamma1 at 125 ug/mL | 9677265 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21905729 | 10.1021/jf202386c | Cydia pomonella | 4 |
| 9677265 | 10.1021/np970367q | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 | 2 |
| 9677265 | 10.1021/np970367q | MCF7 | 1 |
| 9677265 | 10.1021/np970367q | HCT-15 | 1 |
| 9677265 | 10.1021/np970367q | HT1197 | 1 |
| 9677265 | 10.1021/np970367q | A549 | 1 |
| 9677265 | 10.1021/np970367q | SK-OV-3 | 1 |
| 9677265 | 10.1021/np970367q | ADMET | 1 |
| 9834151 | 10.1021/np980117p | Coagulation factor VII/tissue factor | 1 |
| 9834151 | 10.1021/np980117p | No relevant target | 1 |
| 9834151 | 10.1021/np980117p | Trypsin | 1 |
| 21641207 | 10.1016/j.bmcl.2011.04.065 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine