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Compound Detail

CHEMBL3943250

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C[C@@H]1/C=C\C(=O)[C@@H](O)[C@@H](O)C/C=C/c2cc(NOCC(=O)O)cc(O)c2C(=O)O[C@H]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3943250
Phase Preclinical
Structure Type MOL
InChI Key JDGKUESTLPYQEQ-RJVUMYRBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

435.4
MW (Da)
1.27
ALogP
9
HBA
5
HBD
162.6
PSA (Ų)
0.34
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 C21H25NO9
MW 435.43
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 1.70

Data from ChEMBL 36 via Core Engine