Compound Detail
CHEMBL5744948
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FC1(F)CCN(c2nc(Nc3cc(C(F)(F)F)ccn3)cc(C3CCN(Cc4cn[nH]c4)C3)n2)C1
Basic Information
| ChEMBL ID | CHEMBL5744948 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPOPQLDAPPSWBB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
494.5
MW (Da)
4.19
ALogP
7
HBA
2
HBD
85.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 12 CHEMBL1908389 | Ki | 8.31 | 8.31 | 4.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 12 | Ki | = | 4.92 | nM | 8.31 | TR-FRET assay: DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tag... | - |
Data from ChEMBL 36 via Core Engine