Details of the Drug

General Information of Drug (ID: DMUM370)

Drug Name
MSH-1001
Synonyms DNB-001; KR-31378; KR-31378); K+ channel activating compounds, Dongbu/KRICT
Indication
Disease Entry ICD 11 Status REF
Ocular hypertension 9C61.01 Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 425.5
Logarithm of the Partition Coefficient (xlogp) 1.8
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C22H27N5O4
IUPAC Name
1-[(2S,3S,4R)-6-amino-2-(dimethoxymethyl)-3-hydroxy-2-methyl-3,4-dihydrochromen-4-yl]-2-benzyl-3-cyanoguanidine
Canonical SMILES
C[C@]1([C@H]([C@@H](C2=C(O1)C=CC(=C2)N)NC(=NCC3=CC=CC=C3)NC#N)O)C(OC)OC
InChI
InChI=1S/C22H27N5O4/c1-22(20(29-2)30-3)19(28)18(16-11-15(24)9-10-17(16)31-22)27-21(26-13-23)25-12-14-7-5-4-6-8-14/h4-11,18-20,28H,12,24H2,1-3H3,(H2,25,26,27)/t18-,19+,22+/m1/s1
InChIKey
OZHUPJHJQIEDFA-DXIQSLLYSA-N
Cross-matching ID
PubChem CID
9823724
DrugBank ID
DB05757
TTD ID
D0Q5BU

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Potassium channel unspecific (KC) TT1VOHK NOUNIPROTAC Opener [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 800023795)
2 KR-31378, a potassium-channel opener, induces the protection of retinal ganglion cells in rat retinal ischemic models. J Pharmacol Sci. 2009 Apr;109(4):511-7.