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Compound Detail

CHEMBL3892473

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O=S(=O)(Nc1cc(F)cc2cccnc12)c1ccccc1

Basic Information

ChEMBL ID CHEMBL3892473
Phase Preclinical
Structure Type MOL
InChI Key KHFFFQKJVNVUCY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

302.3
MW (Da)
3.17
ALogP
3
HBA
1
HBD
59.1
PSA (Ų)
0.81
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 C15H11FN2O2S
MW 302.33
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.95

Activity Summary

IC50 1 meas. best 6.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ferroportin
CHEMBL3392948
IC50 6.11 6.11 780.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ferroportin IC50 = 780.0 nM 6.11 Antagonist activity at C-terminal halo-tag fused human ferroportin expressed in ... -

Data from ChEMBL 36 via Core Engine