Compound Detail
CHEMBL563180
LESPECYRTIN E3 Enter ChEMBL ID:
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CC(C)=CCc1cc2c(cc1O)OC[C@H]1c3c4c(c(O)c(CC=C(C)C)c3O[C@@H]21)OC(C)(C)C=C4
Basic Information
| ChEMBL ID | CHEMBL563180 |
| Name | LESPECYRTIN E3 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJYSQFRTOQQIHC-CUNXSJBXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
6.91
ALogP
5
HBA
2
HBD
68.2
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 400.0 | nM | 6.4 | Inhibition of melanin synthesis in NHEM after 24 hrs by liquid scintillation | 19102656 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19102656 | 10.1021/np800535g | Unchecked | 1 |
| 19102656 | 10.1021/np800535g | ADMET | 1 |
Data from ChEMBL 36 via Core Engine