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Compound Detail

CHEMBL5202235

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N#Cc1cccc(-n2cc(CC3COC4(C=CC(=O)C=C4)N(c4ccccc4)C3=O)nn2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5202235
Phase Preclinical
Structure Type MOL
InChI Key BYYXKRRMENJYRW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

437.5
MW (Da)
2.75
ALogP
7
HBA
0
HBD
101.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H19N5O3
MW 437.46
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
34656041 10.1016/j.ejmech.2021.113880 N-lysine methyltransferase SMYD2 1

Data from ChEMBL 36 via Core Engine