Compound Detail
CHEMBL2170294
AS1940477 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2170294 |
| Name | AS1940477 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYHNSWOZRDSWLX-MRXNPFEDSA-N |
4
Targets
4
Activities
1
Assay Types
4
PK Parameters
13
Publications
0
Known Names
Molecular Properties
431.5
MW (Da)
3.24
ALogP
7
HBA
2
HBD
85.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| THP-1 CHEMBL614245 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| Mitogen-activated protein kinase 13 CHEMBL2939 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Mitogen-activated protein kinase 11 CHEMBL3961 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1518.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 2.17 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 61.8 | % | Rattus norvegicus |
| T1/2 | 5.15 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| THP-1 | IC50 | = | 0.6 | nM | 9.22 | Antiinflammatory activity in human THP1 cells assessed as inhibition of LPS-indu... | 22905713 |
| Mitogen-activated protein kinase 13 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of human MAPK p38alpha by Z'-LYTE assay | 22905713 |
| Mitogen-activated protein kinase 11 | IC50 | = | 36.0 | nM | 7.44 | Inhibition of human MAPK p38beta by Z'-LYTE assay | 22905713 |
| Cytochrome P450 2C9 | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of CYP2C9 | 22905713 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22905713 | 10.1021/jm3008008 | Rattus norvegicus | 9 |
| 22905713 | 10.1021/jm3008008 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 22905713 | 10.1021/jm3008008 | No relevant target | 1 |
| 22905713 | 10.1021/jm3008008 | Cytochrome P450 3A4 | 1 |
| 22905713 | 10.1021/jm3008008 | Cytochrome P450 2D6 | 1 |
| 22905713 | 10.1021/jm3008008 | Cytochrome P450 2C9 | 1 |
| 22905713 | 10.1021/jm3008008 | Cytochrome P450 2C19 | 1 |
| 22905713 | 10.1021/jm3008008 | Cytochrome P450 1A2 | 1 |
| 22905713 | 10.1021/jm3008008 | Mitogen-activated protein kinase 9 | 1 |
| 22905713 | 10.1021/jm3008008 | Mitogen-activated protein kinase 11 | 1 |
| 22905713 | 10.1021/jm3008008 | Mitogen-activated protein kinase 13 | 1 |
| 22905713 | 10.1021/jm3008008 | ADMET | 1 |
| 22905713 | 10.1021/jm3008008 | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine