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Compound Detail

CHEMBL4169026

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CN(Cc1nccn1Cc1ccccc1)c1nccc(-c2ccccn2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4169026
Phase Preclinical
Structure Type MOL
InChI Key RPMFXULAWCBOPX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
3.42
ALogP
6
HBA
0
HBD
59.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N6
MW 356.43
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.50

Literature References

PubMed DOI Target Context # Activities
30091915 10.1021/acs.jmedchem.8b00669 Unchecked 1

Data from ChEMBL 36 via Core Engine