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Compound Detail

CHEMBL3970065

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CN(C)c1ccc2c(c1)-c1ccc3cccnc3c1NS2(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3970065
Phase Preclinical
Structure Type MOL
InChI Key XEFYMKSVVWCIEG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
3.08
ALogP
4
HBA
1
HBD
62.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15N3O2S
MW 325.39
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.00

Activity Summary

IC50 1 meas. best 6.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ferroportin
CHEMBL3392948
 IC50 6.04 6.04 910.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ferroportin IC50 = 910.0 nM 6.04 Antagonist activity at C-terminal halo-tag fused human ferroportin expressed in ... -

Data from ChEMBL 36 via Core Engine