Compound Detail
CHEMBL5592096
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5592096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBBBWNYOLQKFCM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
470.5
MW (Da)
3.00
ALogP
5
HBA
4
HBD
110.2
PSA (Ų)
0.33
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PRMT5/MEP50 complex CHEMBL3137261 | IC50 | 7.85 | 7.51 | 14.0 | 2 |
| Protein arginine N-methyltransferase 5 CHEMBL1795116 | IC50 | 7.18 | 7.18 | 66.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 64.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 20.0 | % | Rattus norvegicus |
| T1/2 | 0.71 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PRMT5/MEP50 complex | IC50 | = | 14.0 | nM | 7.85 | Inhibition of PRMT5 (1 to 637 residues)/MEP504 (2 to 342 residues)(unknown origi... | 39080842 |
| Protein arginine N-methyltransferase 5 | IC50 | = | 66.0 | nM | 7.18 | Inhibition of PRMT5 in human HCT-116 cells with MTAP KO assessed as decrease in ... | 39080842 |
| PRMT5/MEP50 complex | IC50 | = | 68.0 | nM | 7.17 | Inhibition of PRMT5 (1 to 637 residues)/MEP504 (2 to 342 residues)(unknown origi... | 39080842 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39080842 | 10.1021/acs.jmedchem.4c00097 | ADMET | 7 |
| 39080842 | 10.1021/acs.jmedchem.4c00097 | PRMT5/MEP50 complex | 2 |
| 39080842 | 10.1021/acs.jmedchem.4c00097 | No relevant target | 2 |
| 39080842 | 10.1021/acs.jmedchem.4c00097 | Protein arginine N-methyltransferase 5 | 1 |
| 39080842 | 10.1021/acs.jmedchem.4c00097 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine