General Information of Drug (ID: DMTY5VE)

Drug Name
Lavoltidine
Synonyms Loxtidine; AH-234844; GSK-1023911a; GSK-1040323b; Histamine H2 receptor antagonist (GERD), GlaxoSmithKline; Histamine H2 receptor antagonist (gastroesophageal reflux disorder), GlaxoSmithKline
Indication
Disease Entry ICD 11 Status REF
Gastroesophageal reflux disease DA22.Z Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 359.5
Logarithm of the Partition Coefficient (xlogp) 2.2
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C19H29N5O2
IUPAC Name
[1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2,4-triazol-3-yl]methanol
Canonical SMILES
CN1C(=NC(=N1)CO)NCCCOC2=CC=CC(=C2)CN3CCCCC3
InChI
InChI=1S/C19H29N5O2/c1-23-19(21-18(15-25)22-23)20-9-6-12-26-17-8-5-7-16(13-17)14-24-10-3-2-4-11-24/h5,7-8,13,25H,2-4,6,9-12,14-15H2,1H3,(H,20,21,22)
InChIKey
VTLNPNNUIJHJQB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
55473
ChEBI ID
CHEBI:6550
CAS Number
76956-02-0
DrugBank ID
DB12884
TTD ID
D08OQQ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histamine H2 receptor (H2R) TTQHJ1K HRH2_HUMAN 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 800000092)
2 New and Future Drug Development for Gastroesophageal Reflux Disease. J Neurogastroenterol Motil. 2014 January; 20(1): 6-16.