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Compound Detail

CHEMBL4448396

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COC(=O)NC(c1cccc(C(=N)N)c1)P(=O)(Oc1ccccc1)Oc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4448396
Phase Preclinical
Structure Type MOL
InChI Key VNDFYKKDXBBDNB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

439.4
MW (Da)
4.68
ALogP
6
HBA
3
HBD
123.7
PSA (Ų)
0.27
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N3O5P
MW 439.41
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.25

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