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Compound Detail

CHEMBL4444920

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COC(=O)NC(c1cccc(N)c1)P(=O)(Oc1ccc(NC(C)=O)cc1)Oc1ccc(NC(C)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4444920
Phase Preclinical
Structure Type MOL
InChI Key QWRXACCWWJXUMY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

526.5
MW (Da)
4.89
ALogP
8
HBA
4
HBD
158.1
PSA (Ų)
0.23
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N4O7P
MW 526.49
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.49

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