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Compound Detail

CHEMBL3218749

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O=C(CSc1nc2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2s1)c1ccc2ccccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3218749
Phase Preclinical
Structure Type MOL
InChI Key ZAHFVZJLDHFICN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

574.6
MW (Da)
7.12
ALogP
7
HBA
1
HBD
85.4
PSA (Ų)
0.16
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H17F3N2O4S3
MW 574.63
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -1.95

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C1MD00129A Unchecked 1

Data from ChEMBL 36 via Core Engine