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Compound Detail

CHEMBL4524547

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NCCOC(=O)NC(c1ccc(NC(=O)C(F)(F)F)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1.O=C(O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4524547
Phase Preclinical
Structure Type MOL
InChI Key CSQDSZJEADHEHM-UHFFFAOYSA-N
Parent Compound CHEMBL4594827
Active Moiety CHEMBL4594827
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

537.4
MW (Da)
5.22
ALogP
7
HBA
3
HBD
129.0
PSA (Ų)
0.30
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 C26H24F6N3O8P
MW 651.45
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.54

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