Structure

InChI Key ZPMVNZLARAEGHB-UHFFFAOYSA-N
Smile CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1.Cl
InChI
InChI=1S/C21H21N.ClH/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21;/h2-11H,12-15H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H22ClN
Molecular Weight 323.87
AlogP 4.7
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 3.24
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Histamine H1 receptor antagonist ISBN

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 3 D009369 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
20.05
Injury, poisoning and procedural complications
15.04
General disorders and administration site conditions
11.28
Psychiatric disorders
11.28
Cardiac disorders
5.76
Vascular disorders
5.76
Respiratory, thoracic and mediastinal disorders
5.51
Musculoskeletal and connective tissue disorders
5.01
Eye disorders
4.51
Investigations
4.01
Infections and infestations
2.51
Metabolism and nutrition disorders
2.26
Gastrointestinal disorders
2.01
Skin and subcutaneous tissue disorders
2.01

Cross References

Resources Reference
ChEBI 59695
ChEMBL CHEMBL1716
EPA CompTox DTXSID5042586
FDA SRS 0S9323MCT0
Guide to Pharmacology 277
KEGG C06935
PubChem 11954233
SureChEMBL SCHEMBL41842
ZINC ZINC00968264