Compound Detail
CHEMBL559191
LESPECYRTIN H1 Enter ChEMBL ID:
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CC(C)=CCC1=C(O)C(Cc2c(-c3cc(CC=C(C)C)c(O)cc3O)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 | CHEMBL559191 |
| Name | LESPECYRTIN H1 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAVZTJIGFNIHRN-IPQOFHBNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
813.0
MW (Da)
11.46
ALogP
10
HBA
6
HBD
174.0
PSA (Ų)
0.04
QED
3
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.05 | 5.05 | 8900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 8900.0 | nM | 5.05 | 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