Compound Detail
CHEMBL5812481
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CC1CCCN1c1nc(Nc2cc(C(F)(F)F)ccn2)cc(C2CCN(C(=O)Cn3ccnc3)C2)n1
Basic Information
| ChEMBL ID | CHEMBL5812481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLEUJCONDPNUME-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
500.5
MW (Da)
3.84
ALogP
8
HBA
1
HBD
92.1
PSA (Ų)
0.55
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 12 CHEMBL1908389 | Ki | 8.8 | 8.455 | 1.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 12 | Ki | = | 1.59 | nM | 8.8 | TR-FRET assay: DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tag... | - |
| Mitogen-activated protein kinase kinase kinase 12 | Ki | = | 7.69 | nM | 8.11 | TR-FRET assay: DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tag... | - |
Data from ChEMBL 36 via Core Engine