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Compound Detail

CHEMBL346752

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O=C(O)c1ccc(OCCCCC(=O)c2ccc(Cl)s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL346752
Phase Preclinical
Structure Type MOL
InChI Key GVXXQPATRCTCEJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

338.8
MW (Da)
4.53
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15ClO4S
MW 338.81
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)81153-7 Vero 6
- 10.1016/S0960-894X(01)81153-7 HeLa 2
7877145 10.1021/jm00005a007 HeLa 2
7877145 10.1021/jm00005a007 Human rhinovirus sp. 2

Data from ChEMBL 36 via Core Engine