Structure

InChI Key CGDDQFMPGMYYQP-UHFFFAOYSA-N
Smile CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C.O=P(O)(O)O
InChI
InChI=1S/C21H29N3O.H3O4P/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19;1-5(2,3)4/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25);(H3,1,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H32N3O5P
Molecular Weight 437.48
AlogP 3.36
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 59.22
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
BLOCKER Sodium channel alpha subunit blocker DailyMed

Metabolites

visNetwork

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Atrial Fibrillation 3 D001281 ClinicalTrials
Heart Failure 3 D006333 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
19.13
Cardiac disorders
13.82
Nervous system disorders
11.66
Gastrointestinal disorders
8.82
Respiratory, thoracic and mediastinal disorders
8.63
Injury, poisoning and procedural complications
8.5
Investigations
5.31
Vascular disorders
3.93
Psychiatric disorders
3.69
Eye disorders
2.95
Renal and urinary disorders
2.74
Musculoskeletal and connective tissue disorders
2.66

Cross References

Resources Reference
ChEBI 4658
ChEMBL CHEMBL1201020
FDA SRS N6BOM1935W
Guide to Pharmacology 7167
KEGG C07740
PubChem 30928
SureChEMBL SCHEMBL41810
ZINC ZINC01530618