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Compound Detail

CHEMBL4513936

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

Basic Information

ChEMBL ID CHEMBL4513936
Phase Preclinical
Structure Type MOL
InChI Key BWBJKZUTTXGODZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

441.4
MW (Da)
5.11
ALogP
6
HBA
2
HBD
94.1
PSA (Ų)
0.45
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24NO6P
MW 441.42
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.10

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