Compound Detail
CHEMBL6043592
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CC(C)C(O)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C12CC(N3CCOCC3)(C1)C2
Basic Information
| ChEMBL ID | CHEMBL6043592 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAUITHCNCVKECM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
467.5
MW (Da)
3.08
ALogP
8
HBA
2
HBD
98.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 9.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 12 CHEMBL1908389 | Kd | 9.96 | 9.96 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 12 | Kd | = | 0.11 | nM | 9.96 | Biological Activity Assay: The DLK dissociation constants (Kd) have been determi... | - |
Data from ChEMBL 36 via Core Engine