Details of the Drug

General Information of Drug (ID: DM5J1NH)

Drug Name
Alcaftadine
Synonyms Lastacaft (TN)
Indication
Disease Entry ICD 11 Status REF
Allergic conjunctivitis 9A60.02 Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 307.4
Logarithm of the Partition Coefficient (xlogp) 1.7
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
ADMET Property
Half-life
The concentration or amount of drug in body reduced by one-half in 2 hours [2]
Metabolism
The drug is metabolized via the non-CYP450 cytosolic enzymes to the active carboxylic acid metabolite []
Chemical Identifiers
Formula
C19H21N3O
IUPAC Name
11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carbaldehyde
Canonical SMILES
CN1CCC(=C2C3=CC=CC=C3CCN4C2=NC=C4C=O)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
InChIKey
MWTBKTRZPHJQLH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
19371515
ChEBI ID
CHEBI:71023
CAS Number
147084-10-4
DrugBank ID
DB06766
TTD ID
D0O7JW
ACDINA ID
D00817

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histamine H1 receptor (H1R) TTTIBOJ HRH1_HUMAN Antagonist [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Allergic conjunctivitis
ICD Disease Classification 9A60.02
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Histamine H1 receptor (H1R) DTT HRH1 6.74E-01 0.13 0.43
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG
DIG Name DIG ID PubChem CID Functional Classification
Benzalkonium chloride E00536 21988052 Antimicrobial preservative; Penetration agent; Solubilizing agent; Surfactant
Edetate disodium E00186 8759 Complexing agent
Sodium chloride E00077 5234 Diluent; Tonicity agent
Sodium dihydrogenorthophosphate E00559 23672064 Buffering agent; Complexing agent
Water E00035 962 Solvent
Pharmaceutical Formulation
Formulation Name Drug Dosage Dosage Form Route
Alcaftadine 0.25% solution 0.25% Solution Ophthalmic
Jump to Detail Pharmaceutical Formulation Page of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7587).
2 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3 Mullard A: 2010 FDA drug approvals. Nat Rev Drug Discov. 2011 Feb;10(2):82-5.