Compound Detail
CHEMBL3692796
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CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](CN2CCNCC2)CC1
Basic Information
| ChEMBL ID | CHEMBL3692796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIRFHKBAJSZZHC-UAPYVXQJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
528.5
MW (Da)
5.39
ALogP
7
HBA
3
HBD
90.4
PSA (Ų)
0.37
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Maternal embryonic leucine zipper kinase CHEMBL4578 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Maternal embryonic leucine zipper kinase | IC50 | = | 0.6 | nM | 9.22 | Kinase Assay: MELK activity was determined in the presence or absence of compoun... | - |
Data from ChEMBL 36 via Core Engine