Compound Detail
CHEMBL3355005
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CC(C)n1nc(-c2cnc3[nH]cc(C(F)(F)F)c3c2)cc1[C@H]1[C@@H]2CN(C3COC3)C[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL3355005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZUKCHWHYOQJRJ-IGOJGBNBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
431.5
MW (Da)
4.07
ALogP
5
HBA
1
HBD
59.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 12 CHEMBL1908389 | Ki | 9.4 | 9.4 | 0.4 | 1 |
| Protein delta homolog 1 CHEMBL5671 | Ki | 9.4 | 9.4 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein delta homolog 1 | Ki | = | 0.4 | nM | 9.4 | Inhibition of DLK (unknown origin) by RT-FRET assay | 25589918 |
| Mitogen-activated protein kinase kinase kinase 12 | Ki | = | 0.4 | nM | 9.4 | Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25589918 | 10.1021/ml500347s | Protein delta homolog 1 | 1 |
Data from ChEMBL 36 via Core Engine