Details of the Drug

General Information of Drug (ID: DMAYC76)

Drug Name
Levomequitazine
Synonyms V-0114; V-0114CP
Indication
Disease Entry ICD 11 Status REF
Seasonal allergic rhinitis CA08.01 Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 322.5
Logarithm of the Partition Coefficient (xlogp) 4.6
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C20H22N2S
IUPAC Name
10-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]methyl]phenothiazine
Canonical SMILES
C1CN2CCC1[C@@H](C2)CN3C4=CC=CC=C4SC5=CC=CC=C53
InChI
InChI=1S/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2/t16-/m0/s1
InChIKey
HOKDBMAJZXIPGC-INIZCTEOSA-N
Cross-matching ID
PubChem CID
6992284
CAS Number
88598-74-7
TTD ID
D0L2JM

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histamine receptor (HR) TT7CXIM NOUNIPROTAC Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800034359)
2 Oxidation of histamine H1 antagonist mequitazine is catalyzed by cytochrome P450 2D6 in human liver microsomes. J Pharmacol Exp Ther. 1998 Feb;284(2):437-42.