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Compound Detail

CHEMBL4750291

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CCOC(=O)c1ccccc1-c1cnc2c3nccnc3nn2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4750291
Phase Preclinical
Structure Type MOL
InChI Key DJFMEHFZNRNRHU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

319.3
MW (Da)
2.52
ALogP
7
HBA
0
HBD
82.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13N5O2
MW 319.32
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.08

Literature References

PubMed DOI Target Context # Activities
33071056 10.1016/j.ejmech.2020.112911 Amine oxidase [flavin-containing] A 1
33071056 10.1016/j.ejmech.2020.112911 Amine oxidase [flavin-containing] B 1

Data from ChEMBL 36 via Core Engine