Compound Detail
CHEMBL6038355
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C=CC(=O)Nc1cc(Oc2cc(C(=O)Nc3ccc(CN4CCN(CC)CC4)c(C(F)(F)F)c3)ccc2C)ncn1
Basic Information
| ChEMBL ID | CHEMBL6038355 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAAYUMBDRYKVMM-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
568.6
MW (Da)
5.11
ALogP
7
HBA
2
HBD
99.7
PSA (Ų)
0.35
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hexokinase-4 CHEMBL3820 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Tyrosine-protein kinase HCK CHEMBL3234 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Nuclear receptor subfamily 2 group C member 2 CHEMBL5716 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 5.47 | 5.47 | 3380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hexokinase-4 | IC50 | = | 17.0 | nM | 7.77 | In Vitro Activity Assay: The in vitro activity of the compounds described herein... | - |
| Tyrosine-protein kinase HCK | IC50 | = | 28.0 | nM | 7.55 | In Vitro Activity Assay: The in vitro activity of the compounds described herein... | - |
| Nuclear receptor subfamily 2 group C member 2 | IC50 | = | 45.0 | nM | 7.35 | In Vitro Activity Assay: The in vitro activity of the compounds described herein... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 3380.0 | nM | 5.47 | In Vitro Activity Assay: The in vitro activity of the compounds described herein... | - |
Data from ChEMBL 36 via Core Engine