Compound Detail
CHEMBL1835934
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COc1cc(C2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4OC(=O)c4cc(O)c(O)c(O)c4)ccc3OC2CO)ccc1O
Basic Information
| ChEMBL ID | CHEMBL1835934 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDDQSJDYUUWFSK-UJEJBADBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
634.5
MW (Da)
3.34
ALogP
14
HBA
7
HBD
221.9
PSA (Ų)
0.12
QED
3
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HUVEC CHEMBL613979 | IC50 | 4.91 | 4.55 | 12310.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HUVEC | IC50 | = | 12310.0 | nM | 4.91 | Antiproliferative activity against HUVEC assessed as inhibition of cell growth a... | 21928794 |
| HUVEC | IC50 | = | 64950.0 | nM | 4.19 | Cytotoxicity against HUVEC assessed as cell viability after 16 hrs by MTT assay | 21928794 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21928794 | 10.1021/jm201034h | HUVEC | 6 |
Data from ChEMBL 36 via Core Engine