Compound Detail
CHEMBL2356502
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CO[C@@H]1[C@@H](OC)[C@H](C)[C@@](O)(CC(=O)O)O[C@H]1[C@H](C)[C@H]1O[C@@]2(CC[C@@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@](C)(O)[C@H](C)C[C@@H]5C)C[C@@H]4OC4C[C@H](OC)[C@@H](OC)[C@H](C)O4)O3)O2)C[C@H](O)[C@H]1C.N
Basic Information
| ChEMBL ID | CHEMBL2356502 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQGJEAMPBSZCIF-VEKNOCPUSA-N |
| Parent Compound | CHEMBL2365786 |
| Active Moiety | CHEMBL2365786 |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
917.1
MW (Da)
4.32
ALogP
16
HBA
4
HBD
208.8
PSA (Ų)
0.20
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.6 | 5.9167 | 251.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 251.7 | nM | 6.6 | PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture CD31-stained tube area de... | - |
| Unchecked | IC50 | = | 2568.27 | nM | 5.59 | PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture nuclear area decrease (vi... | - |
| Unchecked | IC50 | = | 2750.75 | nM | 5.56 | PubChem BioAssay. Decreased HeLa cell count-IC50. (Class of assay: confirmator... | - |
Data from ChEMBL 36 via Core Engine