Compound Detail
CHEMBL560771
LESPECYRTIN E5 Enter ChEMBL ID:
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CC(C)=CCc1c(O)c(C)cc2c1O[C@H]1c3cc4c(cc3OC[C@@H]21)OC(C)(C)C=C4
Basic Information
| ChEMBL ID | CHEMBL560771 |
| Name | LESPECYRTIN E5 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGKOYAUMAZQEFW-CPJSRVTESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
6.00
ALogP
4
HBA
1
HBD
47.9
PSA (Ų)
0.62
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.82 | 5.82 | 1500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of melanin synthesis in NHEM after 24 hrs by liquid scintillation | 19102656 |
| Unchecked | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of melanin in human melanocyte | 28189086 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19102656 | 10.1021/np800535g | Unchecked | 1 |
| 19102656 | 10.1021/np800535g | ADMET | 1 |
| 28189086 | 10.1016/j.ejmech.2017.01.023 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine