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Compound Detail

CHEMBL432481

DEFERITRIN
🧪 Phase II
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🧪 Phase II
C[C@]1(C(=O)O)CSC(c2ccc(O)cc2O)=N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL432481
Name DEFERITRIN
Phase Phase II
Structure Type MOL
InChI Key OEUUFNIKLCFNLN-LLVKDONJSA-N

Known Names

Deferitrin Deferitrina Deferitrine GT-56-252 GT56-252
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
5
Known Names
1
Indications

Molecular Properties

253.3
MW (Da)
1.43
ALogP
5
HBA
3
HBD
90.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Year 2005

Extended Properties

Molecular Formula C11H11NO4S
MW 253.28
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.92

Indications

beta-Thalassemia

Activity Summary

IC50 2 meas. best 4.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
 IC50 4.72 4.71 19000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 19000.0 nM 4.72 Inhibitory concentration against growth of murine L1210 cells at 48 hours 15943485
L1210 IC50 = 20000.0 nM 4.7 Inhibitory concentration against growth of murine L1210 cells at 96 hours 15943485

Literature References

PubMed DOI Target Context # Activities
16640338 10.1021/jm0508944 Rattus norvegicus 11
18533709 10.1021/jm800154m Rattus norvegicus 7
17125256 10.1021/jm0608816 Rattus norvegicus 7
18533709 10.1021/jm800154m Pancreas 6
18533709 10.1021/jm800154m Heart 6
18533709 10.1021/jm800154m Kidney 6
18533709 10.1021/jm800154m Liver 6
18533709 10.1021/jm800154m Plasma 6
15943485 10.1021/jm048974f L1210 5
26231739 10.1016/j.bmc.2015.06.059 Rattus norvegicus 3
26231739 10.1016/j.bmc.2015.06.059 Sapajus apella 3
15943485 10.1021/jm048974f Unchecked 3
16640338 10.1021/jm0508944 Sapajus apella 2
18533709 10.1021/jm800154m Sapajus apella 2
10395484 10.1021/jm990058s Monkey 2
17125256 10.1021/jm0608816 Monkey 1
16640338 10.1021/jm0508944 Plasma 1
26231739 10.1016/j.bmc.2015.06.059 No relevant target 1
16640338 10.1021/jm0508944 No relevant target 1
15689166 10.1021/jm049306x Monkey 1

Data from ChEMBL 36 via Core Engine