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Compound Detail

CHEMBL93103

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CC(=O)N[C@@H](CO)[C@H](O)/C=C/c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL93103
Phase Preclinical
Structure Type MOL
InChI Key NNJMNNJYXQFQMM-AHYBDNRGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

235.3
MW (Da)
0.56
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H17NO3
MW 235.28
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 1.29

Literature References

PubMed DOI Target Context # Activities
25172146 10.1016/j.bmc.2014.07.024 NON-PROTEIN TARGET 2
10411490 10.1021/jm990091e Rattus norvegicus 1
25172146 10.1016/j.bmc.2014.07.024 HepG2 1

Data from ChEMBL 36 via Core Engine