Compound Detail
CHEMBL1870919
BUMECAINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL1870919 |
| Name | BUMECAINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | VEPZOLKTNZOTTQ-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
2
Known Names
Molecular Properties
288.4
MW (Da)
3.81
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Activity Summary
EC50 5 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | EC50 | 5.96 | 5.345 | 1100.0 | 4 |
| Nuclear receptor subfamily 1 group I member 2 CHEMBL2146315 | EC50 | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor subfamily 1 group I member 2 | EC50 | = | 1100.0 | nM | 5.96 | Activation of PXR in human cryopreserved hepatocytes assessed as induction of CY... | 20966043 |
| Nuclear receptor subfamily 1 group I member 2 | EC50 | = | 5000.0 | nM | 5.3 | Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay | 20966043 |
| Nuclear receptor subfamily 1 group I member 2 | EC50 | = | 7000.0 | nM | 5.16 | Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induc... | 20966043 |
| Nuclear receptor subfamily 1 group I member 2 | EC50 | = | 11000.0 | nM | 4.96 | Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by l... | 20966043 |
| Nuclear receptor subfamily 1 group I member 2 | EC50 | = | 38000.0 | nM | 4.42 | Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase ... | 20966043 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20966043 | 10.1124/dmd.110.035105 | Nuclear receptor subfamily 1 group I member 2 | 9 |
Data from ChEMBL 36 via Core Engine