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Compound Detail

CHEMBL4525235

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Cc1ccc(C(=O)c2cccc(CSc3ccc(C4=NCCO4)cc3)c2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4525235
Phase Preclinical
Structure Type MOL
InChI Key PISXYWUAVKNTPZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

393.5
MW (Da)
5.36
ALogP
5
HBA
0
HBD
38.7
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19NO2S2
MW 393.53
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.34

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