Details of the Drug

General Information of Drug (ID: DMQWA2R)

Drug Name

TY-11345

Synonyms

TY 11345; (+-)-2-((4-Methoxy-6,7,8,9-tetrahydro-5H-cyclohepta(b)pyridin-9-yl)sulfinyl)-1H-benzimidazole sodium salt; 5H-Cyclohepta(b)pyridine, 9-(1H-benzimidazol-2-ylsulfinyl)-6,7,8,9-tetrahydro-4-methoxy-, sodium salt

Indication

Disease Entry	ICD 11	Status	REF
Peptic ulcer	DA61	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

365.4

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

3

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

5

Chemical Identifiers

Formula: C18H20N3NaO2S
IUPAC Name: sodium;9-(1H-benzimidazol-2-ylsulfinyl)-4-methoxy-2,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-1-ide
Canonical SMILES: COC1=CC[N-]C2=C1CCCCC2S(=O)C3=NC4=CC=CC=C4N3.[Na+]
InChI: InChI=1S/C18H20N3O2S.Na/c1-23-15-10-11-19-17-12(15)6-2-5-9-16(17)24(22)18-20-13-7-3-4-8-14(13)21-18;/h3-4,7-8,10,16H,2,5-6,9,11H2,1H3,(H,20,21);/q-1;+1
InChIKey: IPAJARTUAXFVLF-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 23689269
CAS Number: 137927-14-1
TTD ID: D0GY4V

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Gastric H(+)/K(+) ATPase (Proton pump)	TTLOKXP	ATP4A_HUMAN ; ATP4B_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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 800001313)
2	Biochemical and pharmacological properties of a newly synthesized proton pump (H+/K(+)-ATPase) inhibitor, TY-11345 in experimental animals. Jpn J Pharmacol. 1993 Aug;62(4):363-71.