Compound Detail
CHEMBL6035946
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N#Cc1ccc(N2CC(CN3CCC([C@@](C#N)(c4cccc(F)c4)[C@H]4CCC[C@@H]4NC(=O)CCl)CC3)C2)cc1
Basic Information
| ChEMBL ID | CHEMBL6035946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVNFEYRAKDFYTF-QMOZSOIISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
548.1
MW (Da)
4.83
ALogP
5
HBA
1
HBD
83.2
PSA (Ų)
0.48
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Menin CHEMBL1615381 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Menin | IC50 | = | 9.0 | nM | 8.05 | Menin Binding Affinity: A fluorescence polarization (FP) competitive binding ass... | - |
Data from ChEMBL 36 via Core Engine