Compound Detail
CHEMBL536702
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Basic Information
| ChEMBL ID | CHEMBL536702 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANAHXHLPDNBDET-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1188526 |
| Active Moiety | CHEMBL1188526 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
500.3
MW (Da)
7.67
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.34
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase CHEMBL4617 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of rabbit adrenal phenylethanolamine N-methyl-transferase | 7252985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7252985 | 10.1021/jm00138a023 | Phenylethanolamine N-methyltransferase | 1 |
Data from ChEMBL 36 via Core Engine