Compound Detail
CHEMBL5948754
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CN1CCN(c2ccc(-c3cc(CN4CCOCC4)ccc3F)cc2NC(=O)c2c[nH]c(=O)cc2C(F)F)CC1
Basic Information
| ChEMBL ID | CHEMBL5948754 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNSKIDONUPQTCE-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
555.6
MW (Da)
3.95
ALogP
6
HBA
2
HBD
80.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Kd 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| WD repeat-containing protein 5 CHEMBL1075317 | Kd | 8.15 | 8.15 | 7.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.8 | 5.8 | 1570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| WD repeat-containing protein 5 | Kd | = | 7.0 | nM | 8.15 | Surface Plasmon Resonance (SPR) Assay: Exemplary compounds of the application we... | - |
| Unchecked | IC50 | = | 1570.0 | nM | 5.8 | MLL1-WRAD2 Enzyme Assay: Compound potency was assessed through incorporation of ... | - |
Data from ChEMBL 36 via Core Engine