Compound Detail
CHEMBL2164984
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1cc(/C=C/C(=O)OC/C(C)=C/Cc2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3)c2O)ccc1O
Basic Information
| ChEMBL ID | CHEMBL2164984 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZHIKCIPCFAOPM-LAEAHUGCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
1
Known Names
Molecular Properties
516.5
MW (Da)
5.16
ALogP
8
HBA
4
HBD
133.5
PSA (Ų)
0.13
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.18 | 4.18 | 66200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 66200.0 | nM | 4.18 | Inhibition of tyrosinase using L-dihydroxyphenylalanine as substrate preincubate... | 23113717 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23113717 | 10.1021/np300576w | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine