Compound Detail
CHEMBL1800085
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Basic Information
| ChEMBL ID | CHEMBL1800085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CIEHOZSAIOBEGL-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
6.25
ALogP
7
HBA
1
HBD
107.5
PSA (Ų)
0.20
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.22 | 8.5733 | 0.6 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.6 | nM | 9.22 | Inhibition of TPA-induced cPLA2alpha activity in human platelets assessed as inh... | 21067218 |
| Unchecked | IC50 | = | 2.1 | nM | 8.68 | Inhibition of human platelet cPLA2alpha assessed as inhibition of arachidonic ac... | 21067218 |
| Unchecked | IC50 | = | 15.0 | nM | 7.82 | Inhibition of porcine cytosolic phospholipase A2 alpha using SAPC and 2-dioleoyl... | 36495814 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21067218 | 10.1021/jm101094p | No relevant target | 2 |
| 21067218 | 10.1021/jm101094p | Unchecked | 2 |
| 36495814 | 10.1016/j.bmc.2022.117110 | ADMET | 2 |
| 21067218 | 10.1021/jm101094p | Liver microsomes | 1 |
| 36495814 | 10.1016/j.bmc.2022.117110 | Unchecked | 1 |
| 36495814 | 10.1016/j.bmc.2022.117110 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine