Compound Detail
CHEMBL65541
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Basic Information
| ChEMBL ID | CHEMBL65541 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOLMRNFJEMQOKO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
399.4
MW (Da)
4.52
ALogP
6
HBA
2
HBD
90.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PBMC CHEMBL613107 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL2336 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PBMC | IC50 | = | 31.0 | nM | 7.51 | Inhibition of LPS-stimulated TNF-alpha release from human peripheral blood monon... | 12127515 |
| Mitogen-activated protein kinase 14 | IC50 | = | 140.0 | nM | 6.85 | In vivo inhibition of murine Mitogen-activated protein kinase p38 alpha activity... | 12127515 |
| Prostaglandin G/H synthase 1 | IC50 | = | 100000.0 | nM | 4.0 | In vivo inhibition of ram seminal vesicle Prostaglandin G/H synthase 1 activity ... | 12127515 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12127515 | 10.1016/s0960-894x(02)00336-0 | Mitogen-activated protein kinase 14 | 1 |
| 12127515 | 10.1016/s0960-894x(02)00336-0 | PBMC | 1 |
| 12127515 | 10.1016/s0960-894x(02)00336-0 | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine