Structure

InChI Key OELFLUMRDSZNSF-BRWVUGGUSA-N
Smile CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1
InChI
InChI=1S/C19H27NO3/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,20,21)(H,22,23)/t15-,16-,17-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H27NO3
Molecular Weight 317.43
AlogP 3.26
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 66.4
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 23.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Side Effects from Label

Side effects Relative Frequency (%) Labels
Infections and infestations Upper respiratory tract infection 10.5
Infections and infestations Upper respiratory tract infection
Infections and infestations Upper respiratory tract infection 8.1
Musculoskeletal and connective tissue disorders Back pain 4.0
Musculoskeletal and connective tissue disorders Back pain
Musculoskeletal and connective tissue disorders Back pain 3.7
Cardiac disorders Dizziness 3.6
Infections and infestations Influenza 3.6
Musculoskeletal and connective tissue disorders Arthropathy 3.3
Musculoskeletal and connective tissue disorders Osteoarthritis 3.3
Gastrointestinal disorders Diarrhoea 3.2
Gastrointestinal disorders Diarrhoea
Gastrointestinal disorders Diarrhoea 3.1
Injury, poisoning and procedural complications Injury 2.9
Infections and infestations Bronchitis 2.7
Infections and infestations Bronchitis
Infections and infestations Bronchitis 2.6
Infections and infestations Influenza
Infections and infestations Influenza 2.6
Respiratory, thoracic and mediastinal disorders Cough 2.4
Endocrine disorders Hypoglycaemia 2.4
Musculoskeletal and connective tissue disorders Arthropathy
Musculoskeletal and connective tissue disorders Arthropathy 2.2
Respiratory, thoracic and mediastinal disorders Cough
Respiratory, thoracic and mediastinal disorders Cough 2.2
Cardiac disorders Dizziness
Cardiac disorders Dizziness 2.2
Musculoskeletal and connective tissue disorders Osteoarthritis
Musculoskeletal and connective tissue disorders Osteoarthritis 2.2
Injury, poisoning and procedural complications Injury
Injury, poisoning and procedural complications Injury 1.7
General disorders and administration site conditions Asthenia 0.8
General disorders and administration site conditions Fatigue 0.8
General disorders and administration site conditions Thirst 0.7
Endocrine disorders Hypoglycaemia
Endocrine disorders Hypoglycaemia 0.4

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Investigations
16.89
Gastrointestinal disorders
8.56
General disorders and administration site conditions
8.56
Nervous system disorders
8.33
Vascular disorders
6.53
Injury, poisoning and procedural complications
5.86
Metabolism and nutrition disorders
4.95
Musculoskeletal and connective tissue disorders
4.73
Skin and subcutaneous tissue disorders
4.5
Endocrine disorders
4.28
Eye disorders
4.28
Cardiac disorders
3.38
Product issues
3.38
Immune system disorders
2.93
Psychiatric disorders
2.93
Infections and infestations
2.7
Renal and urinary disorders
2.48
Respiratory, thoracic and mediastinal disorders
2.48

Cross References

Resources Reference
CAS NUMBER 105816-04-4
ChEBI 31897
ChEMBL CHEMBL783
DrugBank DB00731
DrugCentral 1886
EPA CompTox DTXSID9040687
FDA SRS 41X3PWK4O2
Guide to Pharmacology 6833
KEGG C12508
SureChEMBL SCHEMBL22088
ZINC ZINC000101489663