Compound Detail
CHEMBL99215
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Basic Information
| ChEMBL ID | CHEMBL99215 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WASIYUSITZITPW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
177.2
MW (Da)
1.51
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase CHEMBL2331 | Ki | 4.47 | 4.47 | 34000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase | Ki | = | 34000.0 | nM | 4.47 | In vitro inhibitory activity against bovine phenylethanolamine N-methyl-transfer... | 2913308 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3988442 | Unchecked | 3 |
| - | 10.6019/CHEMBL4513160 | Pseudomonas aeruginosa | 2 |
| 2913308 | 10.1021/jm00122a032 | Phenylethanolamine N-methyltransferase | 1 |
| - | 10.6019/CHEMBL4513160 | Acinetobacter baumannii | 1 |
Data from ChEMBL 36 via Core Engine