Compound Detail
CHEMBL571195
ACUMINATIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL571195 |
| Name | ACUMINATIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITFKWUHXYCXXFF-XSOBDOKWSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
4.98
ALogP
4
HBA
0
HBD
36.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.11 | 5.11 | 7750.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL4102 | IC50 | 4.54 | 4.54 | 28700.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.18 | 4.15 | 65300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 7750.0 | nM | 5.11 | Inhibition of potato LOX-5 assessed as inhibition of hydroperoxide production af... | 19880317 |
| Prostaglandin G/H synthase 2 | IC50 | = | 28700.0 | nM | 4.54 | Inhibition of ovine COX-2 assessed as inhibition of transformation of AA to PGH2... | 19880317 |
| NON-PROTEIN TARGET | IC50 | = | 65300.0 | nM | 4.18 | Antiplatelet activity in rabbit platelets assessed as inhibition of platelet act... | 19880317 |
| NON-PROTEIN TARGET | IC50 | = | 75600.0 | nM | 4.12 | Antiplatelet activity in rabbit platelets assessed as inhibition of adenosin 5'-... | 19880317 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19880317 | 10.1016/j.bmcl.2009.10.069 | NON-PROTEIN TARGET | 3 |
| 19880317 | 10.1016/j.bmcl.2009.10.069 | Unchecked | 2 |
| 19880317 | 10.1016/j.bmcl.2009.10.069 | Prostaglandin G/H synthase 1 | 1 |
| 19880317 | 10.1016/j.bmcl.2009.10.069 | Prostaglandin G/H synthase 2 | 1 |
| 19658431 | 10.1021/np900203y | Radical scavenging activity | 1 |
| 19658431 | 10.1021/np900203y | Staphylococcus aureus | 1 |
| 19658431 | 10.1021/np900203y | Staphylococcus epidermidis | 1 |
| 19658431 | 10.1021/np900203y | Pseudomonas aeruginosa | 1 |
| 19658431 | 10.1021/np900203y | Escherichia coli | 1 |
| 19658431 | 10.1021/np900203y | Candida tropicalis | 1 |
| 19658431 | 10.1021/np900203y | Nakaseomyces glabratus | 1 |
| 19658431 | 10.1021/np900203y | Candida dubliniensis | 1 |
| 29307497 | 10.1016/j.bmcl.2017.08.015 | Drosophila melanogaster | 1 |
Data from ChEMBL 36 via Core Engine