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Compound Detail

CHEMBL3337646

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CC(=O)N[C@@H](CO)[C@H](O)/C=C/c1ccc(-c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3337646
Phase Preclinical
Structure Type MOL
InChI Key RWJPFAJZRWOANF-MLQCUJFCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
2.22
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21NO3
MW 311.38
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.87

Literature References

PubMed DOI Target Context # Activities
25172146 10.1016/j.bmc.2014.07.024 NON-PROTEIN TARGET 2
25172146 10.1016/j.bmc.2014.07.024 HepG2 1

Data from ChEMBL 36 via Core Engine