Structure

InChI Key FYDWDCIFZSGNBU-UHFFFAOYSA-N
Smile CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)c1ccc(CN2CCC(C(N)=O)CC2)cc1
InChI
InChI=1S/C35H43N5O4/c1-38(34(42)29-13-11-26(12-14-29)25-40-19-15-28(16-20-40)33(36)41)23-24-39-21-17-30(18-22-39)44-35(43)37-32-10-6-5-9-31(32)27-7-3-2-4-8-27/h2-14,28,30H,15-25H2,1H3,(H2,36,41)(H,37,43)

Physicochemical Descriptors

Property Name Value
Molecular Formula C35H43N5O4
Molecular Weight 597.76
AlogP 4.84
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 108.21
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 44.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Muscarinic acetylcholine receptor M3 antagonist FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pulmonary Disease, Chronic Obstructive 4 D029424 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials

Related Entries

Scaffolds

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Respiratory, thoracic and mediastinal disorders
21.79
Cardiac disorders
19.23
General disorders and administration site conditions
12.82
Gastrointestinal disorders
8.97
Nervous system disorders
8.97
Vascular disorders
6.41
Skin and subcutaneous tissue disorders
5.13
Injury, poisoning and procedural complications
3.85
Investigations
3.85
Eye disorders
2.56
Metabolism and nutrition disorders
2.56
Renal and urinary disorders
2.56

Cross References

Resources Reference
CAS NUMBER 864750-70-9
ChEMBL CHEMBL3833319
DrugBank DB11855
DrugCentral 5303
FDA SRS G2AE2VE07O
Guide to Pharmacology 10129
PubChem 11753673
SureChEMBL SCHEMBL356480