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Compound Detail

CHEMBL4475828

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N=C(N)Nc1ccc(CC(NC(=O)OCc2c(F)c(F)c(F)c(F)c2F)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4475828
Phase Preclinical
Structure Type MOL
InChI Key HGOGNMJXWYXAIZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

634.5
MW (Da)
6.83
ALogP
6
HBA
4
HBD
135.8
PSA (Ų)
0.04
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 C29H24F5N4O5P
MW 634.50
Aromatic Rings 4
Heavy Atoms 44
NP-Likeness -0.36

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