Compound Detail
CHEMBL6044256
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CNC(=O)N1CCc2c(c(Nc3cc(C(F)F)c(-c4cnn(C)c4)cc3F)nn2C2CCN(C(C)=O)CC2)C1
Basic Information
| ChEMBL ID | CHEMBL6044256 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QARXDGYJCSXZCM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
544.6
MW (Da)
3.98
ALogP
7
HBA
2
HBD
100.3
PSA (Ų)
0.51
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CREB-binding protein CHEMBL5747 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 5.05 | 5.05 | 8860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CREB-binding protein | IC50 | = | 1.0 | nM | 9.0 | TR-FRET Binding Assay: His/Flag epitope tagged CBP was cloned, expressed, and pu... | - |
| Bromodomain-containing protein 4 | IC50 | = | 8860.0 | nM | 5.05 | AlphaLisa Binding Assay: His/Flag epitope tagged BRD4 BD142-168 was cloned, expr... | - |
Data from ChEMBL 36 via Core Engine