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Compound Detail

CHEMBL358449

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OCCn1nnc(-c2ccncc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL358449
Phase Preclinical
Structure Type MOL
InChI Key PANKYZMTKOOPLG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

191.2
MW (Da)
-0.27
ALogP
6
HBA
1
HBD
76.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H9N5O
MW 191.19
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -2.27

Literature References

PubMed DOI Target Context # Activities
7490728 10.1021/jm00024a006 Amine oxidase [flavin-containing] A 1
7490728 10.1021/jm00024a006 Amine oxidase [flavin-containing] B 1

Data from ChEMBL 36 via Core Engine