Compound Detail
CHEMBL5195877
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
NCCCN(CCCNc1ccccn1)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL5195877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWUJVBSQHYBLFQ-YRFFXBIPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
-0.42
ALogP
12
HBA
5
HBD
173.5
PSA (Ų)
0.24
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-arginine methyltransferase CARM1 CHEMBL5406 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Protein arginine N-methyltransferase 1 CHEMBL5524 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-arginine methyltransferase CARM1 | IC50 | = | 90.0 | nM | 7.05 | Inhibition of PRMT4 (unknown origin) | 35014841 |
| Protein arginine N-methyltransferase 1 | IC50 | = | 22000.0 | nM | 4.66 | Inhibition of PRMT1 (unknown origin) | 35014841 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35014841 | 10.1021/acs.jmedchem.1c01208 | Protein arginine N-methyltransferase 1 | 1 |
| 35014841 | 10.1021/acs.jmedchem.1c01208 | Histone-arginine methyltransferase CARM1 | 1 |
Data from ChEMBL 36 via Core Engine