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Compound Detail

CHEMBL4533375

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O=C(OCc1cccc(OCc2ccccn2)c1)c1cn[nH]c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4533375
Phase Preclinical
Structure Type MOL
InChI Key YVEMNPCJBQLLKU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

309.3
MW (Da)
2.74
ALogP
5
HBA
1
HBD
77.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15N3O3
MW 309.32
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.60

Literature References

PubMed DOI Target Context # Activities
31282680 10.1021/acs.jmedchem.9b00809 Unchecked 2

Data from ChEMBL 36 via Core Engine