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Compound Detail

CHEMBL4450680

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O=C(NO)c1cccc(OCc2ccc(/C=C/c3ccccc3)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4450680
Phase Preclinical
Structure Type MOL
InChI Key UQZLLPPXCKTCFT-MDZDMXLPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
4.56
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19NO3
MW 345.40
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.57

Literature References

PubMed DOI Target Context # Activities
31944697 10.1021/acs.jmedchem.9b00739 Sphingomyelin phosphodiesterase 1

Data from ChEMBL 36 via Core Engine