Compound Detail
CHEMBL5084863
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COC(=O)N[C@H]1CCC[C@@H]1[C@](CN1CCC1)(c1cccc(F)c1)C1CCN(CC2(C(=O)OC)CN(c3ccc(S(=O)(=O)C4CC4)cc3)C2)CC1
Basic Information
| ChEMBL ID | CHEMBL5084863 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBSMQBOIOZDTSP-IKTYWIPASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
710.9
MW (Da)
4.62
ALogP
9
HBA
1
HBD
108.5
PSA (Ų)
0.32
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Menin CHEMBL1615381 | IC50 | 7.37 | 7.37 | 42.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Menin | IC50 | = | 42.4 | nM | 7.37 | Binding affinity to menin (unknown origin) incubated for 1 hr by fluorescence po... | 34196551 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34196551 | 10.1021/acs.jmedchem.1c00789 | Menin | 1 |
| 34196551 | 10.1021/acs.jmedchem.1c00789 | MV4-11 | 1 |
| 34196551 | 10.1021/acs.jmedchem.1c00789 | MOLM-13 | 1 |
Data from ChEMBL 36 via Core Engine