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Compound Detail

CHEMBL491297

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CNC(=O)[C@@H]1CCCN1C(=O)Cc1ccc2c(c1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL491297
Phase Preclinical
Structure Type MOL
InChI Key YWQAHYSADGEEFT-NSHDSACASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

290.3
MW (Da)
0.69
ALogP
4
HBA
1
HBD
67.9
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18N2O4
MW 290.32
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
19371038 10.1021/jm8011849 Unchecked 2

Data from ChEMBL 36 via Core Engine