Compound Detail
CHEMBL475806
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
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL475806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHJWWOZXCKEOGK-YDOLDEOXSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
897.1
MW (Da)
2.37
ALogP
15
HBA
9
HBD
254.5
PSA (Ų)
0.13
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.21
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 6100.0 | nM | 5.21 | Cytotoxicity against human HL60 cells after 72 hrs by MTT assay | 23639650 |
| A-375 | IC50 | = | 12100.0 | nM | 4.92 | Cytotoxicity against human A375 cells after 72 hrs by sulforhodamine B assay | 23639650 |
| A549 | IC50 | = | 16700.0 | nM | 4.78 | Cytotoxicity against human A549 cells after 72 hrs by sulforhodamine B assay | 23639650 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10757708 | 10.1021/np990231n | WEHI-164 | 1 |
| 10757708 | 10.1021/np990231n | HEK293 | 1 |
| 10757708 | 10.1021/np990231n | J774 | 1 |
| 10514313 | 10.1021/np9901837 | HL-60 | 1 |
| 23639650 | 10.1016/j.ejmech.2013.04.016 | A-375 | 1 |
| 23639650 | 10.1016/j.ejmech.2013.04.016 | A549 | 1 |
| 23639650 | 10.1016/j.ejmech.2013.04.016 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine