Compound Detail
CHEMBL4802038
A-446 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL4802038 |
| Name | A-446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLNFTRSEHUWEGO-HUUCEWRRSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
1.98
ALogP
8
HBA
1
HBD
87.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.98
Ki 2 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 7.98 | 7.98 | 10.5 | 1 |
| Glutaminase kidney isoform, mitochondrial CHEMBL2146302 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 5.19 | 5.19 | 6453.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 10.5 | nM | 7.98 | A549 CTG Assay | - |
| Glutaminase kidney isoform, mitochondrial | IC50 | = | 31.0 | nM | 7.51 | GLS Enzyme activity assay | - |
| 5-hydroxytryptamine receptor 1D | Ki | = | 6453.57 | nM | 5.19 | GPCRScan assay: inhibition of 5-HT1D | - |
| 5-hydroxytryptamine receptor 1D | Ki | = | 6456.54 | nM | 5.19 | GPCRScan assay: inhibition of 5-HT1D | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | U2OS | 10 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 9 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 8 |
| - | 10.6019/CHEMBL4800721 | 5-hydroxytryptamine receptor 1D | 5 |
| - | 10.6019/CHEMBL4800721 | Unchecked | 3 |
| - | 10.6019/CHEMBL4800721 | 5-hydroxytryptamine receptor 7 | 3 |
| - | 10.6019/CHEMBL4800721 | 5-hydroxytryptamine receptor 2C | 1 |
| - | 10.6019/CHEMBL4800721 | Alpha-2A adrenergic receptor | 1 |
| - | 10.6019/CHEMBL4800721 | Alpha-1D adrenergic receptor | 1 |
| - | 10.6019/CHEMBL5665443 | Uracil-DNA glycosylase | 1 |
| - | 10.6019/CHEMBL4800721 | Alpha-1A adrenergic receptor | 1 |
| - | 10.6019/CHEMBL4800721 | 5-hydroxytryptamine receptor 6 | 1 |
| - | 10.6019/CHEMBL4800721 | 5-hydroxytryptamine receptor 5A | 1 |
| - | 10.6019/CHEMBL4800721 | 5-hydroxytryptamine receptor 3A | 1 |
| - | 10.6019/CHEMBL4800721 | Glutaminase kidney isoform, mitochondrial | 1 |
| - | 10.6019/CHEMBL4800721 | 5-hydroxytryptamine receptor 2B | 1 |
| - | 10.6019/CHEMBL4800721 | 5-hydroxytryptamine receptor 2A | 1 |
| - | 10.6019/CHEMBL4800721 | 5-hydroxytryptamine receptor 1E | 1 |
| - | 10.6019/CHEMBL4800721 | 5-hydroxytryptamine receptor 1A | 1 |
| - | 10.6019/CHEMBL4800721 | A549 | 1 |
Data from ChEMBL 36 via Core Engine