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Compound Detail

CHEMBL45373

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COc1ccc(-c2ccc(OCCCCCN3CCN(c4ccncc4)C3=O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL45373
Phase Preclinical
Structure Type MOL
InChI Key OGEXSSDSZNIMHQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

431.5
MW (Da)
5.25
ALogP
4
HBA
0
HBD
54.9
PSA (Ų)
0.41
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29N3O3
MW 431.54
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.06

Literature References

PubMed DOI Target Context # Activities
11931618 10.1021/jm010536a Enterovirus A71 1
11931618 10.1021/jm010536a NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine