Compound Detail
CHEMBL1522313
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Basic Information
| ChEMBL ID | CHEMBL1522313 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTUGYAOMCKNTGG-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
3.13
ALogP
6
HBA
1
HBD
68.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.23 | 7.23 | 59.0 | 1 |
| Peregrin CHEMBL3132741 | IC50 | 7.1 | 6.37 | 79.4 | 3 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 5.5 | 5.5 | 3162.3 | 1 |
| Bromodomain-containing protein 1 CHEMBL2176774 | IC50 | 5.1 | 5.1 | 7943.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 59.0 | nM | 7.23 | Displacement of NanoBRET BRD Tracer-02 from Nanoluc-fused BRPF1B bromodomain (un... | 37552884 |
| Peregrin | IC50 | = | 79.43 | nM | 7.1 | Binding affinity to 6H-Flag-tagged Tev-BRPF1 (622-738 aa) (unknown origin) by TR... | 25408830 |
| Peregrin | IC50 | = | 980.0 | nM | 6.01 | Binding affinity to NanoLuc-tagged BRPF1 isoform 1 bromodomain (625-735 aa) (unk... | 25408830 |
| Peregrin | IC50 | = | 1000.0 | nM | 6.0 | Binding affinity to NanoLuc-tagged BRPF1 isoform 1 bromodomain (625-735 aa) (unk... | 25408830 |
| Bromodomain-containing protein 4 | IC50 | = | 3162.28 | nM | 5.5 | Binding affinity to 6-His-tagged-BRD4 (1 to 477 aa) Y97A mutant (unknown origin)... | 25408830 |
| Bromodomain-containing protein 1 | IC50 | = | 7943.28 | nM | 5.1 | Binding affinity to 6H-Flag-tagged Tev-BRPF2 (551-673 aa) (unknown origin) by TR... | 25408830 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25408830 | 10.1021/ml5002932 | Peregrin | 3 |
| 25408830 | 10.1021/ml5002932 | Bromodomain-containing protein 4 | 2 |
| - | 10.6019/CHEMBL5724709 | Fibroblast | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 32787077 | 10.1021/acs.jmedchem.0c01183 | NAD-dependent protein deacylase sirtuin-6 | 2 |
| - | 10.6019/CHEMBL5724709 | U2OS | 2 |
| - | 10.6019/CHEMBL5724709 | HEK-293T | 2 |
| 37552884 | 10.1021/acs.jmedchem.3c00671 | Unchecked | 2 |
| - | 10.6019/CHEMBL5724796 | Bromodomain-containing protein 4 | 1 |
| - | 10.6019/CHEMBL5724796 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5724796 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Casein kinase I isoform delta | 1 |
| 37552884 | 10.1021/acs.jmedchem.3c00671 | PC-3 | 1 |
| 37552884 | 10.1021/acs.jmedchem.3c00671 | LNCaP | 1 |
| 37552884 | 10.1021/acs.jmedchem.3c00671 | Bromodomain-containing protein 9 | 1 |
| 37552884 | 10.1021/acs.jmedchem.3c00671 | Bromodomain-containing protein 7 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 25408830 | 10.1021/ml5002932 | Bromodomain and PHD finger-containing protein 3 | 1 |
| 25408830 | 10.1021/ml5002932 | Bromodomain-containing protein 1 | 1 |
| 25408830 | 10.1021/ml5002932 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine