Compound Detail
CHEMBL1362935
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O=C(O)c1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C(=O)O)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O
Basic Information
| ChEMBL ID | CHEMBL1362935 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPQVTOJGNYVQEO-GTCVFCFLSA-N |
6
Targets
10
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
862.8
MW (Da)
-1.10
ALogP
18
HBA
12
HBD
348.0
PSA (Ų)
0.10
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 6.08
EC50 1 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.08 | 5.5925 | 833.7 | 4 |
| Hexokinase HKDC1 CHEMBL1741200 | IC50 | 5.79 | 5.79 | 1610.0 | 1 |
| Troponin, cardiac muscle CHEMBL2095202 | IC50 | 5.57 | 5.57 | 2724.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 5.14 | 5.14 | 7249.0 | 1 |
| 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 CHEMBL3964 | IC50 | 4.73 | 4.73 | 18791.0 | 1 |
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 4.52 | 4.52 | 30390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine