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Compound Detail

CHEMBL5266548

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CNCCNCc1cccc(-c2nc(NC3CCOCC3)c(C)c(-c3cccc4[nH]ccc34)n2)c1

Basic Information

ChEMBL ID CHEMBL5266548
Phase Preclinical
Structure Type MOL
InChI Key FUNZMBPFTZXJIY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

470.6
MW (Da)
4.50
ALogP
6
HBA
4
HBD
86.9
PSA (Ų)
0.27
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H34N6O
MW 470.62
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.57

Activity Summary

IC50 1 meas. best 7.93

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone-arginine methyltransferase CARM1
CHEMBL5406
IC50 7.93 7.93 11.8 1

Activity Data Samples

Top measurements by pChEMBL value

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