Compound Detail
CHEMBL49263
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Basic Information
| ChEMBL ID | CHEMBL49263 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVPNUMDAUYTNLJ-ABCCIZJZSA-N |
1
Targets
6
Activities
3
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
159.2
MW (Da)
1.99
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas.
EC50 2 meas. best 4.8
IC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 1100.0 | nM | 5.96 | Inhibitory concentration against uptake of [3H]NE into chopped cerebral cortical... | 7392028 |
| Rattus norvegicus | EC50 | = | 16000.0 | nM | 4.8 | Effective concentration was measured for the release of accumulated [3H]NE from ... | 7392028 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3681890 | 10.1021/jm00395a006 | Phenylethanolamine N-methyltransferase | 3 |
| 3681889 | 10.1021/jm00395a005 | Phenylethanolamine N-methyltransferase | 3 |
| 7392028 | 10.1021/jm00180a006 | Rattus norvegicus | 3 |
| 3761316 | 10.1021/jm00160a029 | Phenylethanolamine N-methyltransferase | 2 |
| 3761316 | 10.1021/jm00160a029 | ADMET | 1 |
| 3681890 | 10.1021/jm00395a006 | Unchecked | 1 |
| 6644745 | 10.1021/jm00366a019 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine