Compound Detail
CHEMBL2323764
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Basic Information
| ChEMBL ID | CHEMBL2323764 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYCMSEXIUYQQTJ-XMMPIXPASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
361.5
MW (Da)
6.55
ALogP
2
HBA
1
HBD
34.2
PSA (Ų)
0.53
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.8 | 4.8 | 15700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 15700.0 | nM | 4.8 | Inhibition of theophylline-induced melanogenesis in mouse B16-4A5 cells after 72... | 23376010 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23829449 | 10.1021/jm400290q | T98G | 8 |
| 23829449 | 10.1021/jm400290q | PANC-1 | 7 |
| 23376010 | 10.1016/j.bmc.2013.01.012 | Tyrosinase | 5 |
| 23376010 | 10.1016/j.bmc.2013.01.012 | Unchecked | 5 |
| 23376010 | 10.1016/j.bmc.2013.01.012 | ADMET | 4 |
| 23829449 | 10.1021/jm400290q | Unchecked | 1 |
| 23829449 | 10.1021/jm400290q | NON-PROTEIN TARGET | 1 |
| 23829449 | 10.1021/jm400290q | K562 | 1 |
| 23829449 | 10.1021/jm400290q | HCT-116 | 1 |
| 23829449 | 10.1021/jm400290q | A549 | 1 |
Data from ChEMBL 36 via Core Engine