Compound Detail
CHEMBL3648448
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N[C@@H]1CCCC(F)(F)C1NC(=O)c1cc(-c2cnc3cc(-c4ccc(F)cc4)cnn23)cs1
Basic Information
| ChEMBL ID | CHEMBL3648448 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIGBRRLWOHGMGM-OQHSHRKDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
471.5
MW (Da)
4.51
ALogP
6
HBA
2
HBD
85.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP/microtubule affinity-regulating kinase 3 CHEMBL5600 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP/microtubule affinity-regulating kinase 3 | IC50 | = | 0.5 | nM | 9.3 | Homogenous Time-Resolved Fluorescence (HTRF) Assay: MARK3 activity was assayed i... | - |
Data from ChEMBL 36 via Core Engine