Compound Detail
CHEMBL3613787
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Basic Information
| ChEMBL ID | CHEMBL3613787 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLPPLEOZEGMVKB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
361.5
MW (Da)
3.26
ALogP
7
HBA
0
HBD
44.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Menin CHEMBL1615381 | IC50 | 5.92 | 5.92 | 1200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Menin | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of N-terminal thioredoxin His6-tagged full-length human menin express... | 26288158 |
| Menin | IC50 | = | 1200.0 | nM | 5.92 | NMR Spectroscopy Assay: NMR spectroscopy validation of lead compounds. In embodi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26288158 | 10.1021/acs.jmedchem.5b00975 | Menin | 1 |
Data from ChEMBL 36 via Core Engine