Compound Detail
CHEMBL3769507
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CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(=N)NC3CCS(=O)(=O)CC3)cc2c1=O
Basic Information
| ChEMBL ID | CHEMBL3769507 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRUWGLUCNBMGPS-UHFFFAOYSA-N |
11
Targets
38
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
497.6
MW (Da)
4.26
ALogP
6
HBA
2
HBD
92.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 27 meas. best 8.1
Kd 10 meas. best 8.7
Ki 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 9 CHEMBL3108640 | Kd | 8.7 | 8.2767 | 2.0 | 3 |
| Bromodomain-containing protein 9 CHEMBL3108640 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| G-401 CHEMBL613509 | IC50 | 8.1 | 6.048 | 8.0 | 5 |
| Bromodomain-containing protein 9 CHEMBL3108640 | IC50 | 7.98 | 7.1971 | 10.4 | 7 |
| Chromatin remodeling regulator CECR2 CHEMBL3108639 | Kd | 6.85 | 6.85 | 140.0 | 1 |
| Bromodomain-containing protein 7 CHEMBL3085622 | Kd | 6.83 | 6.51 | 148.0 | 4 |
| Chromatin remodeling regulator CECR2 CHEMBL3108639 | IC50 | 6.71 | 6.71 | 195.6 | 1 |
| CREB-binding protein CHEMBL5747 | Kd | 6.13 | 6.13 | 740.0 | 1 |
| Histone acetyltransferase p300 CHEMBL3784 | Kd | 6.11 | 6.11 | 770.0 | 1 |
| BT-12 CHEMBL6066736 | IC50 | 6.03 | 4.992 | 940.0 | 5 |
| CREB-binding protein CHEMBL5747 | IC50 | 5.51 | 5.51 | 3054.0 | 1 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 5.3 | 5.125 | 5011.9 | 2 |
| Peregrin CHEMBL3132741 | IC50 | 5.28 | 5.28 | 5198.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.15 | 5.0633 | 7100.0 | 3 |
| CHLA-266 CHEMBL6066737 | IC50 | 4.88 | 4.745 | 13300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine