Compound Detail
CHEMBL1599555
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Basic Information
| ChEMBL ID | CHEMBL1599555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMKRMQGOPWYOGL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
258.4
MW (Da)
3.72
ALogP
2
HBA
2
HBD
33.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B16 CHEMBL381 | IC50 | 5.09 | 5.09 | 8200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B16 | IC50 | = | 8200.0 | nM | 5.09 | Inhibition of alpha-MSH -stimulated melanogenesis in mouse B16 cells assessed as... | 21978680 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21978680 | 10.1016/j.bmcl.2011.09.024 | Tyrosinase | 2 |
| 21978680 | 10.1016/j.bmcl.2011.09.024 | B16 | 2 |
| 34890996 | 10.1016/j.bmc.2021.116506 | RAW264.7 | 2 |
| 34890996 | 10.1016/j.bmc.2021.116506 | Mycobacterium tuberculosis | 1 |
| 34890996 | 10.1016/j.bmc.2021.116506 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine