Compound Detail
CHEMBL5829674
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C=CC(=O)NNc1cc(Oc2cc(C(=O)Nc3ccc(CN4CCN(CC)CC4)c(C(F)(F)F)c3)ccc2C)ncn1
Basic Information
| ChEMBL ID | CHEMBL5829674 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWSXNKZDGBMJET-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
583.6
MW (Da)
4.62
ALogP
8
HBA
3
HBD
111.7
PSA (Ų)
0.23
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 2 group C member 2 CHEMBL5716 | IC50 | 5.76 | 5.76 | 1750.0 | 1 |
| Tyrosine-protein kinase HCK CHEMBL3234 | IC50 | 5.16 | 5.16 | 6980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor subfamily 2 group C member 2 | IC50 | = | 1750.0 | nM | 5.76 | In Vitro Activity Assay: The in vitro activity of the compounds described herein... | - |
| Tyrosine-protein kinase HCK | IC50 | = | 6980.0 | nM | 5.16 | In Vitro Activity Assay: The in vitro activity of the compounds described herein... | - |
Data from ChEMBL 36 via Core Engine