Compound Detail
CHEMBL5560909
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N=C(N)NCCC[C@H](N)C(=O)NCC(=O)N[C@@H](CCNC(=N)NCCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL5560909 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMLVTAUALHGTDV-NVRCGLLASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
695.8
MW (Da)
-4.67
ALogP
15
HBA
13
HBD
356.4
PSA (Ų)
0.04
QED
3
Ro5 Violations
19
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 5 CHEMBL1795116 | IC50 | 9.38 | 9.38 | 0.4 | 1 |
| Histone-arginine methyltransferase CARM1 CHEMBL5406 | IC50 | 8.55 | 8.55 | 2.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 5 | IC50 | = | 0.42 | nM | 9.38 | Inhibition of PRMT5 (unknown origin) | 38359536 |
| Histone-arginine methyltransferase CARM1 | IC50 | = | 2.8 | nM | 8.55 | Inhibition of PRMT4 (unknown origin) | 38359536 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38359536 | 10.1016/j.ejmech.2024.116212 | Histone-arginine methyltransferase CARM1 | 1 |
| 38359536 | 10.1016/j.ejmech.2024.116212 | Protein arginine N-methyltransferase 5 | 1 |
Data from ChEMBL 36 via Core Engine