Details of the Drug

General Information of Drug (ID: DMA412G)

Drug Name
Z-300
Synonyms 2-(2-Hydroxyethylsulfanyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide 2-(4-hydroxybenzoyl)benzoate
Indication
Disease Entry ICD 11 Status REF
Gastric ulcer DA60 Discontinued in Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 366.5
Logarithm of the Partition Coefficient (xlogp) 2.1
Rotatable Bond Count (rotbonds) 11
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C19H30N2O3S
IUPAC Name
2-(2-hydroxyethylsulfanyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
Canonical SMILES
C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CSCCO
InChI
InChI=1S/C19H30N2O3S/c22-11-13-25-16-19(23)20-8-5-12-24-18-7-4-6-17(14-18)15-21-9-2-1-3-10-21/h4,6-7,14,22H,1-3,5,8-13,15-16H2,(H,20,23)
InChIKey
ZRVDLLKTYZXNAD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
124488
CAS Number
127966-78-3
TTD ID
D0T2MN

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 800001448)
2 Effects of a new histamine H2-receptor antagonist, Z-300, on gastric secretion and gastro-duodenal lesions in rats: comparison with roxatidine. Jpn J Pharmacol. 1992 Jul;59(3):275-89.