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Compound Detail

CHEMBL4163540

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

Basic Information

ChEMBL ID CHEMBL4163540
Phase Preclinical
Structure Type MOL
InChI Key AVHCGEZBXGVZNA-RMPLJOKMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

291.3
MW (Da)
2.20
ALogP
6
HBA
0
HBD
74.2
PSA (Ų)
0.25
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H17NO5
MW 291.30
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.33

Literature References

PubMed DOI Target Context # Activities
29975532 10.1021/acs.jnatprod.7b00938 A549 1
29975532 10.1021/acs.jnatprod.7b00938 MDA-MB-231 1
29975532 10.1021/acs.jnatprod.7b00938 HepG2 1

Data from ChEMBL 36 via Core Engine