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Compound Detail

CHEMBL4522091

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

Basic Information

ChEMBL ID CHEMBL4522091
Phase Preclinical
Structure Type MOL
InChI Key PRMAWPOMOYCNRN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

508.4
MW (Da)
6.69
ALogP
6
HBA
2
HBD
99.9
PSA (Ų)
0.18
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24F3N2O5P
MW 508.43
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.44

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