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Compound Detail

CHEMBL4568558

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CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)C(NC(=O)OCc2ccccc2)c2cccc(N)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4568558
Phase Preclinical
Structure Type MOL
InChI Key OSWOWBZEPAHJLJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

602.6
MW (Da)
6.46
ALogP
8
HBA
4
HBD
158.1
PSA (Ų)
0.11
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 C31H31N4O7P
MW 602.58
Aromatic Rings 4
Heavy Atoms 43
NP-Likeness -0.46

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