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Compound Detail

CHEMBL4580041

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CCC(C)(O)/C=C/[C@H](NC(=O)OCc1ccccc1)C(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4580041
Phase Preclinical
Structure Type MOL
InChI Key REWHYTQTQVFOAZ-XSTCBLGQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

321.4
MW (Da)
2.17
ALogP
5
HBA
2
HBD
84.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H23NO5
MW 321.37
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.32

Data from ChEMBL 36 via Core Engine