ALCAFTADINE

Search structure
Trade Names:
Synonyms:
Status: Approved (2010)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: S01GX11
UNII: 7Z8O94ECSX

Structure
InChI Key MWTBKTRZPHJQLH-UHFFFAOYSA-N
Smile CN1CCC(=C2c3ccccc3CCn3c(C=O)cnc32)CC1
InChI
InChI=1S/C19H21N3O/c1-21-9-6-15(7-10-21)18-17-5-3-2-4-14(17)8-11-22-16(13-23)12-20-19(18)22/h2-5,12-13H,6-11H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H21N3O
Molecular Weight 307.4
AlogP 2.78
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 38.13
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Histamine H1 receptor antagonist DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Conjunctivitis, Allergic 4 D003233 ClinicalTrials

Related Entries

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Eye disorders
50.62
Skin and subcutaneous tissue disorders
11.96
Immune system disorders
8.33
General disorders and administration site conditions
8.02
Nervous system disorders
6.02
Injury, poisoning and procedural complications
4.17
Psychiatric disorders
2.08
Infections and infestations
2.01

Cross References

Resources Reference
CAS NUMBER 147084-10-4
ChEBI 71023
ChEMBL CHEMBL1201747
DrugBank DB06766
DrugCentral 4165
EPA CompTox DTXSID80598455
FDA SRS 7Z8O94ECSX
Human Metabolome Database HMDB0015670
Guide to Pharmacology 7587
PharmGKB PA165958399
PubChem 19371515
SureChEMBL SCHEMBL1602418
ZINC ZINC000011726211
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