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Compound Detail

CHEMBL3688190

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O=S(=O)(Nc1ccc(F)cn1)c1ccc(Oc2cnc(CO)c(Cl)c2)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3688190
Phase Preclinical
Structure Type MOL
InChI Key SFYSDPWAVSQNHN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

427.8
MW (Da)
3.49
ALogP
6
HBA
2
HBD
101.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12ClF2N3O4S
MW 427.82
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.66

Activity Summary

IC50 1 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
 IC50 8.7 8.7 2.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Solute carrier family 22 member 12 IC50 = 2.0 nM 8.7 Inhibition Assay: Assay compound plates were prepared by diluting the compounds ... -

Data from ChEMBL 36 via Core Engine