Details of the Drug

General Information of Drug (ID: DMLQD6F)

Drug Name
RIG-200
Synonyms 1,3,4,6-Tetra-O-acetyl-2-[2(S)-(acetylamino)-3-methyl-3-(nitrososulfanyl)butyramido]-2-deoxy-beta-D-glucopyranose
Indication
Disease Entry ICD 11 Status REF
Hypertension BA00-BA04 Discontinued in Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 549.6
Logarithm of the Partition Coefficient (xlogp) -0.9
Rotatable Bond Count (rotbonds) 14
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 14
Chemical Identifiers
Formula
C21H31N3O12S
IUPAC Name
[(2R,3S,4R,5R,6S)-5-[[(2S)-2-acetamido-3-methyl-3-nitrososulfanylbutanoyl]amino]-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
Canonical SMILES
CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C(C)(C)SN=O
InChI
InChI=1S/C21H31N3O12S/c1-9(25)22-18(21(6,7)37-24-31)19(30)23-15-17(34-12(4)28)16(33-11(3)27)14(8-32-10(2)26)36-20(15)35-13(5)29/h14-18,20H,8H2,1-7H3,(H,22,25)(H,23,30)/t14-,15-,16-,17-,18+,20-/m1/s1
InChIKey
VISYVRBZWPNIOD-GFJCLWMYSA-N
Cross-matching ID
PubChem CID
6918441
TTD ID
D00TLD

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Guanylate cyclase soluble beta-1 (GUCY1B1) TTLBYH1 GCYB1_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 800011948)
2 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015