Structure

InChI Key YEJAJYAHJQIWNU-UHFFFAOYSA-N
Smile CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1.Cl
InChI
InChI=1S/C22H24ClN3O.ClH/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16;/h2-3,6-11,18H,4-5,12-15H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H25Cl2N3O
Molecular Weight 418.37
AlogP 4.3
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 38.13
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Histamine H1 receptor antagonist FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Rhinitis, Vasomotor 4 D012223 ClinicalTrials
Rhinitis, Allergic, Seasonal 4 D006255 ClinicalTrials
Common Cold 3 D003139 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
17.88
Respiratory, thoracic and mediastinal disorders
17.15
General disorders and administration site conditions
13.99
Gastrointestinal disorders
13.69
Injury, poisoning and procedural complications
7.37
Psychiatric disorders
5.92
Cardiac disorders
4.33
Skin and subcutaneous tissue disorders
3.95
Vascular disorders
3.55
Eye disorders
2.6

Cross References

Resources Reference
ChEBI 2951
ChEMBL CHEMBL1200809
EPA CompTox DTXSID2045945
FDA SRS 0L591QR10I
Guide to Pharmacology 7121
KEGG C07768
PubChem 54360
SureChEMBL SCHEMBL36770
ZINC ZINC00897240