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Compound Detail

CHEMBL4458565

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Nc1cccc(C(NC(=O)OCc2ccc3c(c2)OCO3)P(=O)(Oc2ccccc2)Oc2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4458565
Phase Preclinical
Structure Type MOL
InChI Key MMSCNIMYNCJJKJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

532.5
MW (Da)
6.27
ALogP
8
HBA
2
HBD
118.3
PSA (Ų)
0.19
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H25N2O7P
MW 532.49
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.23

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