Compound Detail
CHEMBL5896100
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CN1CCN(c2ccc(-c3cc(CN4C5COCC4C5)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
Basic Information
| ChEMBL ID | CHEMBL5896100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYOLZFSJTRIOGN-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
585.6
MW (Da)
4.18
ALogP
6
HBA
2
HBD
80.9
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.76
Kd 1 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| WD repeat-containing protein 5 CHEMBL1075317 | Kd | 8.32 | 8.32 | 4.8 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.76 | 5.76 | 1750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| WD repeat-containing protein 5 | Kd | = | 4.8 | nM | 8.32 | Surface Plasmon Resonance (SPR) Assay: Exemplary compounds of the application we... | - |
| Unchecked | IC50 | = | 1750.0 | nM | 5.76 | MLL1-WRAD2 Enzyme Assay: Compound potency was assessed through incorporation of ... | - |
Data from ChEMBL 36 via Core Engine