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Compound Detail

CHEMBL3976419

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CCc1cc(=O)oc2cc(OCC(N)=O)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3976419
Phase Preclinical
Structure Type MOL
InChI Key JWJNLSLRGKYKLC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

247.2
MW (Da)
1.22
ALogP
4
HBA
1
HBD
82.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13NO4
MW 247.25
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.72

Data from ChEMBL 36 via Core Engine