Compound Detail
CHEMBL3696195
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CC(=O)N1c2ccccc2NC2=C(C(=O)CC(c3ccc(C(C)(C)C)cc3)C2)C1c1cccnc1
Basic Information
| ChEMBL ID | CHEMBL3696195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPQBSBFYOVKHQX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
465.6
MW (Da)
6.30
ALogP
4
HBA
1
HBD
62.3
PSA (Ų)
0.48
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Menin CHEMBL1615381 | IC50 | 5.16 | 5.025 | 7000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Menin | IC50 | = | 7000.0 | nM | 5.16 | Homogeneous Time-Resolve Fluorescence (HTRF) Assay: One potential limitation of ... | - |
| Menin | IC50 | = | 13000.0 | nM | 4.89 | Fluorescence Polarization Assay: Assays effective in monitoring the inhibition o... | - |
Data from ChEMBL 36 via Core Engine