Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4794079

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
N#Cc1cc(C(=O)N2CCSC2)cc(C(F)(F)F)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4794079
Phase Preclinical
Structure Type MOL
InChI Key LJNVGFLDWYYBBQ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names

Molecular Properties

302.3
MW (Da)
2.43
ALogP
4
HBA
1
HBD
64.3
PSA (Ų)
0.87
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H9F3N2O2S
MW 302.28
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.68

Activity Summary

IC50 1 meas.

Pharmacokinetic Data

Parameter Value Units Species
Cmax 12240.31 nM Rattus norvegicus

Literature References

PubMed DOI Target Context # Activities
33684442 10.1016/j.bmcl.2021.127900 ADMET 3
33684442 10.1016/j.bmcl.2021.127900 Solute carrier family 22 member 12 1
33684442 10.1016/j.bmcl.2021.127900 Unchecked 1
33684442 10.1016/j.bmcl.2021.127900 Cytochrome P450 2C9 1

Data from ChEMBL 36 via Core Engine