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Compound Detail

CHEMBL5280681

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Cc1c(NC2CCOCC2)nc(-c2cccc(CNC(=O)[C@H](C)N)c2)nc1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5280681
Phase Preclinical
Structure Type MOL
InChI Key DERUXBJTHPLMKL-SFHVURJKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

445.6
MW (Da)
3.67
ALogP
6
HBA
3
HBD
102.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31N5O2
MW 445.57
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.05

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