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Compound Detail

CHEMBL3919719

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O=S(=O)(Nc1cc(F)cc2cccnc12)c1ccc(Cl)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3919719
Phase Preclinical
Structure Type MOL
InChI Key ZQOZCOMBUUFBMB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

354.8
MW (Da)
3.97
ALogP
3
HBA
1
HBD
59.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H9ClF2N2O2S
MW 354.76
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -2.32

Activity Summary

IC50 1 meas. best 6.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ferroportin
CHEMBL3392948
 IC50 6.16 6.16 690.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ferroportin IC50 = 690.0 nM 6.16 Antagonist activity at C-terminal halo-tag fused human ferroportin expressed in ... -

Data from ChEMBL 36 via Core Engine