Structure

InChI Key BGDKAVGWHJFAGW-UHFFFAOYSA-N
Smile CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1
InChI
InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H20N2O2
Molecular Weight 284.36
AlogP 2.21
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 53.43
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Muscarinic acetylcholine receptor M3 antagonist ISBN PubMed PubMed
Primary Target
M3 receptor

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Eye Diseases 3 D005128 ClinicalTrials
Parkinson Disease 2 D010300 ClinicalTrials
Sialorrhea 2 D012798 ClinicalTrials
Presbyopia 2 D011305 ClinicalTrials

Related Entries

Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Eye disorders
24.5
Nervous system disorders
18.59
General disorders and administration site conditions
9.37
Gastrointestinal disorders
5.91
Skin and subcutaneous tissue disorders
5.33
Cardiac disorders
5.04
Immune system disorders
5.04
Injury, poisoning and procedural complications
4.61
Vascular disorders
4.61
Psychiatric disorders
4.03
Respiratory, thoracic and mediastinal disorders
3.89
Investigations
3.03

Cross References

Resources Reference
CAS NUMBER 1508-75-4
ChEBI 9757
ChEMBL CHEMBL1200604
DrugBank DB00809
DrugCentral 2774
EPA CompTox DTXSID8045220
FDA SRS N0A3Z5XTC6
Human Metabolome Database HMDB0014947
Guide to Pharmacology 7319
KEGG D00397
PharmGKB PA164749389
PubChem 5593
SureChEMBL SCHEMBL23975
ZINC ZINC00057533