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Compound Detail

CHEMBL4449224

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N=C(N)Nc1cccc(C(NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)c1.O=C(O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4449224
Phase Preclinical
Structure Type MOL
InChI Key LILPJSMCVXLXJT-UHFFFAOYSA-N
Parent Compound CHEMBL4448860
Active Moiety CHEMBL4448860
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

530.5
MW (Da)
6.27
ALogP
6
HBA
4
HBD
135.8
PSA (Ų)
0.11
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 C30H28F3N4O7P
MW 644.54
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.37

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