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Compound Detail

CHEMBL4452077

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O=C(NC(c1ccc2occc2c1)P(=O)(Oc1ccccc1)Oc1ccccc1)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4452077
Phase Preclinical
Structure Type MOL
InChI Key XOBAELREYIOBPF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

513.5
MW (Da)
7.71
ALogP
6
HBA
1
HBD
87.0
PSA (Ų)
0.20
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 C29H24NO6P
MW 513.49
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness -0.09

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