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Compound Detail

CHEMBL4560967

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N=C(N)Nc1ccc(C(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4560967
Phase Preclinical
Structure Type MOL
InChI Key IRFTUIIIABCAGV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

604.5
MW (Da)
6.34
ALogP
6
HBA
4
HBD
143.6
PSA (Ų)
0.09
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 C27H24F3N4O5PS
MW 604.55
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -0.83

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