Details of the Drug

General Information of Drug (ID: DMCS8FM)

Drug Name
SORAPRAZAN
Synonyms BY-359; Soraprazan; 2,3-Dimethyl-7(R)-(2-methoxyethoxy)-9(R)-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8(R)-ol
Indication
Disease Entry ICD 11 Status REF
Peptic ulcer DA61 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 367.4
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C21H25N3O3
IUPAC Name
(7R,8R,9R)-7-(2-methoxyethoxy)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol
Canonical SMILES
CC1=C(N2C=CC3=C(C2=N1)N[C@@H]([C@H]([C@@H]3OCCOC)O)C4=CC=CC=C4)C
InChI
InChI=1S/C21H25N3O3/c1-13-14(2)24-10-9-16-18(21(24)22-13)23-17(15-7-5-4-6-8-15)19(25)20(16)27-12-11-26-3/h4-10,17,19-20,23,25H,11-12H2,1-3H3/t17-,19-,20-/m1/s1
InChIKey
PWILYDZRJORZDR-MISYRCLQSA-N
Cross-matching ID
PubChem CID
213054
CAS Number
261944-46-1
UNII
5XB3671655
DrugBank ID
DB17856
TTD ID
D0Q0YN

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]
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 800015211)
2 Soraprazan: setting new standards in inhibition of gastric acid secretion.J Pharmacol Exp Ther.2007 Jun;321(3):866-74.