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Compound Detail

CHEMBL461860

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CC(c1ccc(Nc2ccccc2)cc1)n1cncn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL461860
Phase Preclinical
Structure Type MOL
InChI Key DMROGQANENHCJE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

264.3
MW (Da)
3.63
ALogP
4
HBA
1
HBD
42.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16N4
MW 264.33
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
18722776 10.1016/j.bmc.2007.06.048 Cytochrome P450 26A1 1

Data from ChEMBL 36 via Core Engine