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Compound Detail

CHEMBL4218642

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Cc1noc(C)c1-c1ccc(CC(O)c2ccc(-n3cccn3)cc2)c([N+](=O)[O-])c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4218642
Phase Preclinical
Structure Type MOL
InChI Key QHLSISDHOMDXIV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

404.4
MW (Da)
4.33
ALogP
7
HBA
1
HBD
107.2
PSA (Ų)
0.38
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 C22H20N4O4
MW 404.43
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.68

Literature References

PubMed DOI Target Context # Activities
30153009 10.1021/acs.jmedchem.8b00931 VP1 capsid protein 1
30153009 10.1021/acs.jmedchem.8b00931 Unchecked 1

Data from ChEMBL 36 via Core Engine