Compound Detail
CHEMBL223505
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Basic Information
| ChEMBL ID | CHEMBL223505 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPXKIPVPEBSPLT-KPKJPENVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
223.3
MW (Da)
1.25
ALogP
3
HBA
2
HBD
59.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| B16 CHEMBL381 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 110.0 | nM | 6.96 | Inhibition of mushroom tyrosinase | 19800229 |
| B16 | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of alpha-MSH-induced melanin production in mouse B16 cells after 3 da... | 21601449 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17220416 | 10.1128/aac.01063-06 | Mycobacterium tuberculosis | 3 |
| 8360870 | 10.1021/jm00068a001 | Rattus norvegicus | 2 |
| 17220416 | 10.1128/aac.01063-06 | NON-PROTEIN TARGET | 2 |
| 21601449 | 10.1016/j.bmcl.2011.04.146 | B16 | 2 |
| 17220416 | 10.1128/aac.01063-06 | Mycobacterium tuberculosis variant bovis BCG | 1 |
| 19800229 | 10.1016/j.bmcl.2009.09.018 | Tyrosinase | 1 |
| 32259446 | 10.1021/acs.jmedchem.9b02075 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine