Compound Detail
CHEMBL5956903
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
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CN(C(=O)C3NC4CCC3CC4)C2)C1)C(C)C
Basic Information
| ChEMBL ID | CHEMBL5956903 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLYBGYMZTMVRST-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
550.7
MW (Da)
3.85
ALogP
7
HBA
1
HBD
90.9
PSA (Ų)
0.56
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Menin CHEMBL1615381 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Menin/Histone-lysine N-methyltransferase MLL CHEMBL2093861 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Menin | IC50 | = | 7.0 | nM | 8.15 | Test for Evaluating the Inhibition of the Menin-MLL Binding: Menin1-615 wherein ... | - |
| Menin/Histone-lysine N-methyltransferase MLL | IC50 | = | 7.0 | nM | 8.15 | Inbinition of the Menin-MLL Binding: Menin1-615 wherein 6×His tag and HA tag are... | - |
Data from ChEMBL 36 via Core Engine