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Compound Detail

CHEMBL5498823

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COc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5498823
Phase Preclinical
Structure Type MOL
InChI Key YNKHVNYLFHHTSJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
3.87
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19NO4
MW 337.38
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.57

Data from ChEMBL 36 via Core Engine