Compound Detail
CHEMBL2314822
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N=C(N)NCCC[C@H](NC(=O)COCCOCCOCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N[C@H]1CCCCCCCCNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)C2(CCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cc(F)cc(F)c2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL2314822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYJSKFFTBNCOKD-MOTFGSSMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1704.9
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Menin CHEMBL1615381 | Kd | 8.85 | 8.85 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Menin | Kd | = | 1.4 | nM | 8.85 | Binding affinity to menin (unknown origin) after 60 mins by fluorescence polariz... | 23244744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23244744 | 10.1021/jm3015298 | Menin | 1 |
Data from ChEMBL 36 via Core Engine