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Compound Detail

CHEMBL4554550

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O=C(CN1C(=O)CNC1=O)Nc1ccc(Cl)c(S(=O)(=O)C2CCCCC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4554550
Phase Preclinical
Structure Type MOL
InChI Key QXOMMPDENZHKKX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

413.9
MW (Da)
1.94
ALogP
5
HBA
2
HBD
112.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20ClN3O5S
MW 413.88
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -1.92

Literature References

PubMed DOI Target Context # Activities
32321240 10.1021/acs.jmedchem.0c00021 No relevant target 2
32321240 10.1021/acs.jmedchem.0c00021 ATPase family AAA domain-containing protein 2 1
32321240 10.1021/acs.jmedchem.0c00021 Chromatin remodeling regulator CECR2 1
32321240 10.1021/acs.jmedchem.0c00021 Bromodomain-containing protein 4 1

Data from ChEMBL 36 via Core Engine