Compound Detail
CHEMBL539455
LESPECYRTIN H3 Enter ChEMBL ID:
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CC(C)=CCC1=C(O)C(C(=O)c2c(-c3cc4c(cc3O)OC(C)(C)C=C4)oc3c(CC=C(C)C)c(O)c(O)cc23)=C[C@@H]2c3c(c4cc(CC=C(C)C)c(O)cc4oc3=O)O[C@H]12
Basic Information
| ChEMBL ID | CHEMBL539455 |
| Name | LESPECYRTIN H3 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCPBEEZLFDNADW-VTHZGGHBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
824.9
MW (Da)
11.07
ALogP
11
HBA
5
HBD
180.0
PSA (Ų)
0.04
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.0 | 5.0 | 10100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 10100.0 | nM | 5.0 | 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