Compound Detail
CHEMBL1080141
XYLOGRANATIN C 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
COC(=O)CC[C@@H]1[C@@H](C)C(=O)C([C@@H](OC(C)=O)[C@@]2(O)C(=O)CC[C@]3(C)C2=CC(=O)O[C@H]3c2ccoc2)=CC1(C)C
Basic Information
| ChEMBL ID | CHEMBL1080141 |
| Name | XYLOGRANATIN C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NASRTTMOGRRNNS-LUYHWAKQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
556.6
MW (Da)
3.58
ALogP
10
HBA
1
HBD
146.4
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.04 | 5.04 | 9160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 9160.0 | nM | 5.04 | Cytotoxicity against human ChaGo cells after 3 days by MTT assay | 19908853 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19908853 | 10.1021/np900640u | NON-PROTEIN TARGET | 2 |
| 19908853 | 10.1021/np900640u | SW-620 | 1 |
| 19908853 | 10.1021/np900640u | BT-474 | 1 |
Data from ChEMBL 36 via Core Engine