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Compound Detail

CHEMBL3955827

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O=S(=O)(Nc1ccccc1OC(F)F)c1ccccc1C(F)(F)F

Basic Information

ChEMBL ID CHEMBL3955827
Phase Preclinical
Structure Type MOL
InChI Key QMRXSGHVOHYRPK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

367.3
MW (Da)
4.11
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10F5NO3S
MW 367.30
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -2.06

Activity Summary

IC50 1 meas. best 5.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
IC50 5.71 5.71 1970.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C6MD00191B Solute carrier family 22 member 12 1

Data from ChEMBL 36 via Core Engine