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Compound Detail

CHEMBL4544896

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Nc1ccc(C(NC(=O)OCCOc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4544896
Phase Preclinical
Structure Type MOL
InChI Key FKLBATZSDZEEEZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

518.5
MW (Da)
6.42
ALogP
7
HBA
2
HBD
109.1
PSA (Ų)
0.13
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H27N2O6P
MW 518.51
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.39

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