Compound Detail
CHEMBL3692835
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CCC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1Nc1ccc(N2CCC[C@@H](N)C2)nc1
Basic Information
| ChEMBL ID | CHEMBL3692835 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKAQVXLBNYSNAD-MRXNPFEDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
521.0
MW (Da)
5.45
ALogP
8
HBA
3
HBD
117.3
PSA (Ų)
0.29
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Maternal embryonic leucine zipper kinase CHEMBL4578 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Maternal embryonic leucine zipper kinase | IC50 | = | 1.1 | nM | 8.96 | Kinase Assay: MELK activity was determined in the presence or absence of compoun... | - |
Data from ChEMBL 36 via Core Engine