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Compound Detail

CHEMBL4462723

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O=C(NC(c1ccc2cc(O)ccc2c1)P(=O)(Oc1ccccc1)Oc1ccccc1)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4462723
Phase Preclinical
Structure Type MOL
InChI Key LXEVFNATCOLJDG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

539.5
MW (Da)
7.82
ALogP
6
HBA
2
HBD
94.1
PSA (Ų)
0.19
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H26NO6P
MW 539.52
Aromatic Rings 5
Heavy Atoms 39
NP-Likeness -0.03

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