Compound Detail
CHEMBL562032
LESPEFLORIN G4 Enter ChEMBL ID:
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CC(C)=CCc1cc2c(cc1O)OC[C@H]1c3cc(C)c(O)c(CC=C(C)C)c3O[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL562032 |
| Name | LESPEFLORIN G4 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBWZJDQLHCNCDG-LVXARBLLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
6.03
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.61
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.5 | 5.495 | 3200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of melanin synthesis in NHEM after 24 hrs by liquid scintillation | 19102656 |
| Unchecked | IC50 | = | 3240.0 | nM | 5.49 | Inhibition of melanin synthesis in NHEM cells assessed as [14C]thiouracil incorp... | 19132934 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19132934 | 10.1021/np800395j | Unchecked | 1 |
| 19132934 | 10.1021/np800395j | ADMET | 1 |
| 19102656 | 10.1021/np800535g | Unchecked | 1 |
| 19102656 | 10.1021/np800535g | ADMET | 1 |
Data from ChEMBL 36 via Core Engine