Compound Detail
CHEMBL5308262
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COC[C@H](NC(=O)c1ccn(S(C)(=O)=O)c1)C(=O)Nc1nc(-c2cccc(-c3ccn(C)n3)c2)cs1
Basic Information
| ChEMBL ID | CHEMBL5308262 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APLVGTKXOIMODQ-IBGZPJMESA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
528.6
MW (Da)
2.20
ALogP
10
HBA
2
HBD
137.2
PSA (Ų)
0.34
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Probable global transcription activator SNF2L2 CHEMBL2362979 | IC50 | 7.86 | 7.695 | 13.8 | 2 |
| Transcription activator BRG1 CHEMBL3085620 | IC50 | 7.58 | 7.55 | 26.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Probable global transcription activator SNF2L2 | IC50 | = | 13.8 | nM | 7.86 | Measurement of the ATPase catalytic activity using the ADP-Glo detection (SMARCA... | - |
| Transcription activator BRG1 | IC50 | = | 26.1 | nM | 7.58 | Measurement of the ATPase catalytic activity using the ADP-Glo detection (SMARCA... | - |
| Probable global transcription activator SNF2L2 | IC50 | = | 29.8 | nM | 7.53 | Luciferase reporter assay: SMARCA2 transcriptional activity in a SMARCA4-mutant ... | - |
| Transcription activator BRG1 | IC50 | = | 30.2 | nM | 7.52 | Luciferase reporter assay: SMARCA4 transcriptional activity in a SMARCA2-mutant ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303766 | Sodium-dependent dopamine transporter | 3 |
| - | 10.6019/CHEMBL5303766 | Transcription activator BRG1 | 2 |
| - | 10.6019/CHEMBL5303766 | Cyclin-dependent kinase-like 1 | 2 |
| - | 10.6019/CHEMBL5303766 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 | 2 |
| - | 10.6019/CHEMBL5303766 | Dual specificity protein kinase CLK3 | 2 |
| - | 10.6019/CHEMBL5303766 | Cell division control protein 42 homolog | 2 |
| - | 10.6019/CHEMBL5303766 | Calcium/calmodulin-dependent protein kinase type IV | 2 |
| - | 10.6019/CHEMBL5303766 | Calcium/calmodulin-dependent protein kinase type II subunit delta | 2 |
| - | 10.6019/CHEMBL5303766 | Calcium/calmodulin-dependent protein kinase type II subunit beta | 2 |
| - | 10.6019/CHEMBL5303766 | AP2-associated protein kinase 1 | 2 |
| - | 10.6019/CHEMBL5303766 | Serine/threonine-protein kinase B-raf | 2 |
| - | 10.6019/CHEMBL5303766 | Cyclin-dependent kinase 2 | 2 |
| - | 10.6019/CHEMBL5303766 | Bone morphogenetic protein receptor type-2 | 2 |
| - | 10.6019/CHEMBL5303766 | Casein kinase II subunit alpha | 2 |
| - | 10.6019/CHEMBL5303766 | Casein kinase I isoform delta | 2 |
| - | 10.6019/CHEMBL5303766 | Peripheral plasma membrane protein CASK | 2 |
| - | 10.6019/CHEMBL5303766 | Calcium/calmodulin-dependent protein kinase kinase 2 | 2 |
| - | 10.6019/CHEMBL5303766 | Cytoplasmic tyrosine-protein kinase BMX | 2 |
| - | 10.6019/CHEMBL5303766 | Tyrosine-protein kinase ABL1 | 2 |
| - | 10.6019/CHEMBL5303766 | Probable global transcription activator SNF2L2 | 2 |
Data from ChEMBL 36 via Core Engine