General Information of Drug (ID: DMF1LYP)

Drug Name
A204
Synonyms
Antibiotic A 204A; A 204; 12750-79-7; Antibiotic A204; A204; Antibiotic A 204-I; A 204A; AKOS040747641; 43110-10-7; 2-(2-hydroxy-6-((2-(5'-(6-hydroxy-4-methoxy-3,5,6-trimethyltetrahydro-2H-pyran-2-yl)octahydro-[2,2'-bifuran]-5-yl)-3,9-dimethoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl)methyl)-5-methoxy-4-((5-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3,5-dimethyltetrahydro-2H-pyran-2-yl)propanoic acid; 2-[2-hydroxy-6-[[2-[5-[5-(6-hydroxy-4-methoxy-3,5,6-trimethyloxan-2-yl)oxolan-2-yl]oxolan-2-yl]-3,7-dimethoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-5-methoxy-4-(5-methoxy-6-methyloxan-2-yl)oxy-3,5-dimethyloxan-2-yl]propanoic acid
Indication
Disease Entry ICD 11 Status REF
Hepatitis B virus infection 1E51.0 Phase 1 [1]
Drug Type
Small molecule
Structure
3D MOL is unavailable 2D MOL
Chemical Identifiers
Formula
C49H84O17
Canonical SMILES
CC1C(OC(C(C1OC)C)(C)O)C2CCC(O2)C3CCC(O3)C4(C(C(C5(O4)C(C(CC(O5)CC6C(C(C(C(O6)(C(C)C(=O)O)O)C)OC7CCC(C(O7)C)OC)(C)OC)OC)C)C)OC)C
InChI
InChI=1S/C49H84O17/c1-24-40(56-13)26(3)47(10,52)65-41(24)35-17-16-33(60-35)34-18-20-37(61-34)46(9)42(57-14)28(5)49(66-46)25(2)36(55-12)22-31(63-49)23-38-45(8,58-15)43(27(4)48(53,64-38)29(6)44(50)51)62-39-21-19-32(54-11)30(7)59-39/h24-43,52-53H,16-23H2,1-15H3,(H,50,51)
InChIKey
RHDSQRNKIIRGBB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
206186
TTD ID
DTOM05

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Hepatitis B virus Capsid protein (HBV C) TTM42UJ CAPSD_HBVD3 Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of Klus Pharma