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Compound Detail

CHEMBL5422094

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CS(=O)(=O)c1sc(OC2CCCCC2)c2c1[C@H](O)C(F)(F)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5422094
Phase Preclinical
Structure Type MOL
InChI Key VVRLYNNVBDMZCH-NSHDSACASA-N
0
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
3.09
ALogP
5
HBA
1
HBD
63.6
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H18F2O4S2
MW 352.42
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.02

Activity Summary

IC50 2 meas.
Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
37403966 10.1021/acs.jmedchem.3c00332 Endothelial PAS domain-containing protein 1 3
37403966 10.1021/acs.jmedchem.3c00332 Aryl hydrocarbon receptor nuclear translocator/Endothelial PAS domain-containing protein 1 1
37403966 10.1021/acs.jmedchem.3c00332 No relevant target 1

Data from ChEMBL 36 via Core Engine