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Compound Detail

CHEMBL4532659

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O=C(NC(Cc1ccc(O)cc1)P(=O)(O)Oc1ccccc1)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4532659
Phase Preclinical
Structure Type MOL
InChI Key LLTBBVXBZDZGFX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.4
MW (Da)
4.45
ALogP
5
HBA
3
HBD
105.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22NO6P
MW 427.39
Aromatic Rings 3
Heavy Atoms 30

Literature References

PubMed DOI Target Context # Activities
30571121 10.1021/acs.jmedchem.8b01466 ATP-dependent Clp protease proteolytic subunit 2

Data from ChEMBL 36 via Core Engine