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Compound Detail

CHEMBL4458154

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Cc1ccc(C(=O)CCCC[S+]([O-])c2ccc(C3=NCCO3)cc2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4458154
Phase Preclinical
Structure Type MOL
InChI Key OVLRTUNSFWLTMG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

375.5
MW (Da)
3.99
ALogP
5
HBA
0
HBD
61.7
PSA (Ų)
0.40
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 C19H21NO3S2
MW 375.51
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.57

Literature References

PubMed DOI Target Context # Activities
30512950 10.1021/acs.jmedchem.8b01482 Poliovirus 3 1
30512950 10.1021/acs.jmedchem.8b01482 Poliovirus 2 1
30512950 10.1021/acs.jmedchem.8b01482 Poliovirus 1 1

Data from ChEMBL 36 via Core Engine