Compound Detail
CHEMBL5273938
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CNCCNCc1cccc(-c2nc(NC3CCOCC3)c(C)c(-c3ccc(OC(F)(F)F)cc3)n2)c1
Basic Information
| ChEMBL ID | CHEMBL5273938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQPLHADFEYGYQT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
515.6
MW (Da)
4.92
ALogP
7
HBA
3
HBD
80.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-arginine methyltransferase CARM1 CHEMBL5406 | IC50 | 8.29 | 8.29 | 5.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-arginine methyltransferase CARM1 | IC50 | = | 5.13 | nM | 8.29 | Inhibition of human CARM1 (140 to 480 residues) incubated for 15 mins measured a... | 34781683 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34781683 | 10.1021/acs.jmedchem.1c01308 | Histone-arginine methyltransferase CARM1 | 1 |
Data from ChEMBL 36 via Core Engine