Compound Detail
CHEMBL5562706
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Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1NCC(=O)N[C@H]1CC[C@H](O)CC1
Basic Information
| ChEMBL ID | CHEMBL5562706 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYFFWGHTVVFMSI-YHBQERECSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
551.7
MW (Da)
4.66
ALogP
7
HBA
4
HBD
112.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 8.28 | 6.795 | 5.2 | 2 |
| MV4-11 CHEMBL613835 | IC50 | 5.67 | 5.67 | 2130.0 | 1 |
| MOLM-13 CHEMBL3706572 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 5.2 | nM | 8.28 | Inhibition of BRD4 BD2 (unknown origin) using biotinylated tetra-acetylated H4 p... | 38175809 |
| MV4-11 | IC50 | = | 2130.0 | nM | 5.67 | Antiproliferative activity against human MV4-11 cells assessed as inhibition of ... | 38175809 |
| Bromodomain-containing protein 4 | IC50 | = | 4937.0 | nM | 5.31 | Inhibition of BRD4 BD1 (unknown origin) using biotinylated tetra-acetylated H4 p... | 38175809 |
| MOLM-13 | IC50 | = | 5200.0 | nM | 5.28 | Antiproliferative activity against human MOLM-13 cells assessed as inhibition of... | 38175809 |
Literature References
Data from ChEMBL 36 via Core Engine