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Compound Detail

CHEMBL4449129

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O=C(NC(Cc1cccc(O)c1)P(=O)(Oc1ccccc1)Oc1ccccc1)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4449129
Phase Preclinical
Structure Type MOL
InChI Key DXRKMCYQPPFIEH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

503.5
MW (Da)
6.54
ALogP
6
HBA
2
HBD
94.1
PSA (Ų)
0.24
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 C28H26NO6P
MW 503.49
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.05

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