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Compound Detail

CHEMBL4647636

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CN(Cc1ccc2cn[nH]c2c1)C(=O)CCc1cccc(-c2nc3ccccc3[nH]2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4647636
Phase Preclinical
Structure Type MOL
InChI Key IIBRMXORPQTDOS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

409.5
MW (Da)
4.70
ALogP
3
HBA
2
HBD
77.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23N5O
MW 409.49
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -1.52

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