Compound Detail
CHEMBL485460
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Basic Information
| ChEMBL ID | CHEMBL485460 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITDYPNOEEHONAH-UKRRQHHQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
320.3
MW (Da)
1.55
ALogP
7
HBA
5
HBD
119.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 4.41 | 4.41 | 39160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 3300.0 | nM | 5.48 | Inhibition of COX1 | 16038536 |
| Mitogen-activated protein kinase 14 | IC50 | = | 39160.0 | nM | 4.41 | Inhibition of p38alpha after 1 hr by ELISA | 21080642 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15568791 | 10.1021/np040006s | PBMC | 12 |
| 16038536 | 10.1021/np049655u | Prostaglandin G/H synthase 1 | 1 |
| 16038536 | 10.1021/np049655u | Prostaglandin G/H synthase 2 | 1 |
| 21080642 | 10.1021/np100523s | Unchecked | 1 |
| 21080642 | 10.1021/np100523s | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine