Compound Detail
CHEMBL464793
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Basic Information
| ChEMBL ID | CHEMBL464793 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBSFNLTXMGJZMI-DUKJBESISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
2.28
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.21
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 4.14 | 4.14 | 73000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 73000.0 | nM | 4.14 | Inhibition of COX1 | 16038536 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16038536 | 10.1021/np049655u | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine