Compound Detail
CHEMBL5193618
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CN1C(=O)CCC(N2C(=O)c3cccc(NCC(=O)NCCCOc4ccc(NC(=O)c5ccc(CN(C(=O)c6ccc7c(c6)OCC(=O)N7)C6CC6)cc5)nc4)c3C2=O)C1=O
Basic Information
| ChEMBL ID | CHEMBL5193618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIWZYPNBTSXEET-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
842.9
MW (Da)
3.21
ALogP
12
HBA
4
HBD
225.8
PSA (Ų)
0.10
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase NSD2 CHEMBL3108645 | Kd | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase NSD2 | Kd | = | 900.0 | nM | 6.05 | Binding affinity to N-terminal GST-tagged human NSD2 PWWP1 domain (208 to 369 re... | 35895319 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35895319 | 10.1021/acs.jmedchem.2c00807 | Unchecked | 2 |
| 35895319 | 10.1021/acs.jmedchem.2c00807 | Protein cereblon/GSPT1 | 2 |
| 35895319 | 10.1021/acs.jmedchem.2c00807 | Cereblon/Ikaros | 2 |
| 35895319 | 10.1021/acs.jmedchem.2c00807 | Protein cereblon/Aiolos | 2 |
| 35895319 | 10.1021/acs.jmedchem.2c00807 | Histone-lysine N-methyltransferase NSD2 | 1 |
Data from ChEMBL 36 via Core Engine