Structure

InChI Key XAYGBKHKBBXDAK-UHFFFAOYSA-N
Smile O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(CC2CC2)CC1
InChI
InChI=1S/C24H26N4O3S/c29-24(28-15-13-27(14-16-28)17-18-6-7-18)20-8-10-21(11-9-20)26-32(30,31)22-5-1-3-19-4-2-12-25-23(19)22/h1-5,8-12,18,26H,6-7,13-17H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H26N4O3S
Molecular Weight 450.56
AlogP 3.2
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 82.61
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 32.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Anemia 3 D000740 ClinicalTrials
Thalassemia 2 D013789 ClinicalTrials
Anemia, Sickle Cell 0 D000755 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4299940
DrugBank DB16236
FDA SRS 2WTV10SIKH
Guide to Pharmacology 10473
PubChem 59634741
SureChEMBL SCHEMBL2702716
ZINC ZINC000140430983