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Compound Detail

CHEMBL4632946

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CN(Cc1ccc2cc[nH]c2c1)C(=O)CCc1cccc(-c2nc3ccccc3[nH]2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4632946
Phase Preclinical
Structure Type MOL
InChI Key WGAFWYGRLHNVLC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
5.30
ALogP
2
HBA
2
HBD
64.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24N4O
MW 408.51
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -1.10

Literature References

PubMed DOI Target Context # Activities
32435413 10.1021/acsmedchemlett.0c00011 DNA (cytosine-5)-methyltransferase 3B 1

Data from ChEMBL 36 via Core Engine