Compound Detail
CHEMBL242103
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Basic Information
| ChEMBL ID | CHEMBL242103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARINKVDYBABITQ-VZUCSPMQSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
225.3
MW (Da)
0.57
ALogP
4
HBA
3
HBD
79.9
PSA (Ų)
0.40
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| Tyrosinase CHEMBL3318 | IC50 | 5.31 | 5.31 | 4880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 260.0 | nM | 6.58 | Inhibition of pieris rapae Phenoloxidase | 17258462 |
| Tyrosinase | IC50 | = | 4880.0 | nM | 5.31 | Inhibition of mushroom tyrosinase using L-dopa as substrate preincubated for 10 ... | 31015905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17258462 | 10.1016/j.bmc.2006.12.038 | Unchecked | 2 |
| 12061873 | 10.1021/jm010459j | Cruzipain | 1 |
| 29152044 | 10.1021/acsmedchemlett.7b00186 | Snake venom metalloproteinase neuwiedase | 1 |
| 31015905 | 10.1039/C9MD00005D | Tyrosinase | 1 |
| 30844273 | 10.1021/acs.jmedchem.8b01946 | SK-OV-3 | 1 |
| 30844273 | 10.1021/acs.jmedchem.8b01946 | Bel-7402 | 1 |
| 30844273 | 10.1021/acs.jmedchem.8b01946 | HepG2 | 1 |
| 30844273 | 10.1021/acs.jmedchem.8b01946 | Caco-2 | 1 |
| 30844273 | 10.1021/acs.jmedchem.8b01946 | L02 | 1 |
| 30844273 | 10.1021/acs.jmedchem.8b01946 | Poly [ADP-ribose] polymerase 1 | 1 |
Data from ChEMBL 36 via Core Engine