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Compound Detail

CHEMBL454682

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O=C1CSC(=S)N1c1cccc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL454682
Phase Preclinical
Structure Type MOL
InChI Key MRDJXDJVVCNDND-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

277.3
MW (Da)
3.07
ALogP
3
HBA
0
HBD
20.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H6F3NOS2
MW 277.29
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -2.07

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19053778 10.1021/jm800869t Unchecked 2
19053778 10.1021/jm800869t Human immunodeficiency virus 1 1
19053778 10.1021/jm800869t MT2 1

Data from ChEMBL 36 via Core Engine