Compound Detail
CHEMBL426543
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CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1cc(O)c(C(=O)O)c(CC(=O)CCCCC)c1O2
Basic Information
| ChEMBL ID | CHEMBL426543 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDIOCINAHISORH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
512.6
MW (Da)
5.50
ALogP
8
HBA
3
HBD
147.4
PSA (Ų)
0.18
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B16 CHEMBL381 | IC50 | 4.99 | 4.99 | 10300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B16 | IC50 | = | 10300.0 | nM | 4.99 | Cytotoxicity against murine B16 cells by MTT assay | 17256903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17256903 | 10.1021/np060561p | B16 | 1 |
Data from ChEMBL 36 via Core Engine