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Compound Detail

CHEMBL5286582

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Cc1c(NC2CCOCC2)nc(-c2cccc(CNC(=O)[C@@H](N)CO)c2)nc1-c1ccncc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5286582
Phase Preclinical
Structure Type MOL
InChI Key LORGBJZTEDYKIJ-NRFANRHFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

462.6
MW (Da)
2.04
ALogP
8
HBA
4
HBD
135.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30N6O3
MW 462.55
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.85

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