Compound Detail
CHEMBL3736250
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C[C@H](CCC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL3736250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOLYNJWWRPDHFK-TWJRVYNGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
571.8
MW (Da)
7.31
ALogP
3
HBA
3
HBD
86.6
PSA (Ų)
0.29
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ephrin type-A receptor 2 CHEMBL2068 | IC50 | 5.39 | 5.39 | 4073.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ephrin type-A receptor 2 | IC50 | = | 4073.8 | nM | 5.39 | Displacement of biotinylated-ephrin-A1-Fc from EphA2-Fc receptor (unknown origin... | 26363867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26363867 | 10.1016/j.ejmech.2015.08.048 | Ephrin type-A receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine