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

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