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Compound Detail

CHEMBL48150

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N#Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL48150
Phase Preclinical
Structure Type MOL
InChI Key XZMCHEMFDIMFEK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

295.4
MW (Da)
5.00
ALogP
3
HBA
1
HBD
48.7
PSA (Ų)
0.53
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H13N3
MW 295.35
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.04

Literature References

PubMed DOI Target Context # Activities
7205885 10.1021/jm00134a009 Nucleic Acid 2
7205885 10.1021/jm00134a009 Mus musculus 2
36913900 10.1016/j.ejmech.2023.115255 Lysine-specific histone demethylase 1A 2
7205885 10.1021/jm00134a009 No relevant target 1
7205885 10.1021/jm00134a009 Calf thymus DNA 1
7069706 10.1021/jm00345a015 L1210 1
7069706 10.1021/jm00345a015 Mus sp. 1
7069706 10.1021/jm00345a015 No relevant target 1

Data from ChEMBL 36 via Core Engine