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Compound Detail

CHEMBL4437668

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CNC(=O)OC(c1cccc(C(=N)N)c1)P(=O)(Oc1ccc(NC(C)=O)cc1)Oc1ccc(NC(C)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4437668
Phase Preclinical
Structure Type MOL
InChI Key HITCSWNPWFXYMB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

553.5
MW (Da)
4.59
ALogP
8
HBA
5
HBD
181.9
PSA (Ų)
0.14
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28N5O7P
MW 553.51
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -0.30

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