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Compound Detail

CHEMBL4527515

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[N-]=[N+]=NCCOCCOC(=O)NC(Cc1ccc(NC(=N)N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4527515
Phase Preclinical
Structure Type MOL
InChI Key VYFKNMJZKNLMDW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

567.5
MW (Da)
5.26
ALogP
8
HBA
4
HBD
193.8
PSA (Ų)
0.04
QED
2
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30N7O6P
MW 567.54
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -0.28

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