Compound Detail
CHEMBL1096479
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Basic Information
| ChEMBL ID | CHEMBL1096479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUQXMWKEVKAVQT-IZZDOVSWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
193.3
MW (Da)
1.16
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B16 CHEMBL381 | IC50 | 5.17 | 5.17 | 6800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B16 | IC50 | = | 6800.0 | nM | 5.17 | Inhibition of melanogenesis in mouse B16 cells | 20359890 |
| B16 | IC50 | = | 6800.0 | nM | 5.17 | Inhibition of melanogenesis in mouse B16 cells | 20863702 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20359890 | 10.1016/j.bmcl.2010.02.067 | B16 | 2 |
| 20863702 | 10.1016/j.bmcl.2010.08.114 | B16 | 2 |
| 30568755 | 10.1039/C8MD00399H | Amine oxidase [flavin-containing] B | 2 |
| 30568755 | 10.1039/C8MD00399H | Amine oxidase [flavin-containing] A | 2 |
| 30568755 | 10.1039/C8MD00399H | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine