Structure

InChI Key ZNNLBTZKUZBEKO-UHFFFAOYSA-N
Smile COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
InChI
InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H28ClN3O5S
Molecular Weight 494.01
AlogP 3.64
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 113.6
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
BLOCKER Sulfonylurea receptor 1, Kir6.2 blocker Wikipedia FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes, Gestational 3 D016640 ClinicalTrials
Brain Injuries 2 D001930 ClinicalTrials
Diabetes Mellitus, Type 1 2 D003922 ClinicalTrials
Stroke 2 D020521 ClinicalTrials
Ischemic Stroke 1 D000083242 ClinicalTrials
Angina, Stable 1 D060050 ClinicalTrials
Spinal Cord Injuries 1 D013119 ClinicalTrials

Related Entries

MCS

Scaffolds

Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
11.25
Nervous system disorders
10.94
Metabolism and nutrition disorders
10.44
Investigations
9.55
Injury, poisoning and procedural complications
8.01
Endocrine disorders
7.37
Gastrointestinal disorders
5.3
Psychiatric disorders
4.87
Vascular disorders
4.44
Cardiac disorders
4.26
Respiratory, thoracic and mediastinal disorders
3.72
Skin and subcutaneous tissue disorders
3.29
Immune system disorders
2.85
Musculoskeletal and connective tissue disorders
2.71
Renal and urinary disorders
2.43

Cross References

Resources Reference
CAS NUMBER 10238-21-8
ChEBI 5441
ChEMBL CHEMBL472
DrugBank DB01016
DrugCentral 1314
EPA CompTox DTXSID0037237
FDA SRS SX6K58TVWC
Human Metabolome Database HMDB0015151
Guide to Pharmacology 2414
KEGG C07022
PDB GBM
PharmGKB PA449782
PubChem 3488
SureChEMBL SCHEMBL22009
ZINC ZINC000000537805