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Compound Detail

CHEMBL5272150

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O=C(/C=C/c1ccc(CN2C(=O)C3(OCCO3)c3ccccc32)cc1)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5272150
Phase Preclinical
Structure Type MOL
InChI Key XZMMTXKYCCGECQ-MDZDMXLPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
1.95
ALogP
5
HBA
2
HBD
88.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N2O5
MW 366.37
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.41

Literature References

PubMed DOI Target Context # Activities
32791404 10.1016/j.ejmech.2020.112679 PC-3 1
32791404 10.1016/j.ejmech.2020.112679 SW-620 1
32791404 10.1016/j.ejmech.2020.112679 ASPC1 1

Data from ChEMBL 36 via Core Engine