Compound Detail
CHEMBL4109994
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Basic Information
| ChEMBL ID | CHEMBL4109994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJRNKVDFDLYUGJ-RXUZKVILSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
272.2
MW (Da)
-1.43
ALogP
7
HBA
5
HBD
119.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyphenol oxidase 1 CHEMBL3988582 | IC50 | 4.05 | 4.05 | 90000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyphenol oxidase 1 | IC50 | = | 90000.0 | nM | 4.05 | Inhibition Assay: Reader: Synergy HT program: tyrosinase 280-490 kinetics: kinet... | - |
Data from ChEMBL 36 via Core Engine