Compound Detail
CHEMBL5962638
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CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(Nc5ccn[nH]5)ncn4)c3)cc2C(F)(F)F)CC1
Basic Information
| ChEMBL ID | CHEMBL5962638 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALAFDZTZJAKGIG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
580.6
MW (Da)
5.45
ALogP
8
HBA
3
HBD
111.3
PSA (Ų)
0.24
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase HCK CHEMBL3234 | IC50 | 7.42 | 7.42 | 38.4 | 1 |
| Nuclear receptor subfamily 2 group C member 2 CHEMBL5716 | IC50 | 7.2 | 7.2 | 63.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase HCK | IC50 | = | 38.4 | nM | 7.42 | In Vitro Activity Assay: The in vitro activity of the compounds described herein... | - |
| Nuclear receptor subfamily 2 group C member 2 | IC50 | = | 63.5 | nM | 7.2 | In Vitro Activity Assay: The in vitro activity of the compounds described herein... | - |
Data from ChEMBL 36 via Core Engine