Details of the Drug

General Information of Drug (ID: DMGEHNX)

Drug Name
S 202 791
Synonyms
Sandoz-202-791; Sdz 202-791; SAN 202791; R202-791; S 202-791; 97217-84-0; C17H18N4O5; 3-Pyridinecarboxylic acid, 4-(4-benzofurazanyl)-1,4-dihydro-2,6-dimethyl-5-nitro-, 1-methylethyl ester, (R)-; (R)-Sandoz 202-791; (-)-Sandoz 202-791; Sandoz 202-791, (-)-; (R)-(-)-Sandoz 202-791; AC1L3UBJ; AC1Q1WKA; (-)-SDZ 202-791; CBiol_001888; (-)-PN 202-791; CHEMBL487115; (R)-202-791; CTK5H9159; Bio1_001152; Bio1_000174; Bio1_000663; AKOS030532582; SDZ-202791; SDZ-202-791; NCGC00163134-01; 3-Pyridinecarboxylic acid, 4-(2,1,3-benzoxadiazol-4-yl)-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 358.3
Logarithm of the Partition Coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C17H18N4O5
IUPAC Name
propan-2-yl (4R)-4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate
Canonical SMILES
CC1=C([C@H](C(=C(N1)C)[N+](=O)[O-])C2=CC=CC3=NON=C32)C(=O)OC(C)C
InChI
InChI=1S/C17H18N4O5/c1-8(2)25-17(22)13-9(3)18-10(4)16(21(23)24)14(13)11-6-5-7-12-15(11)20-26-19-12/h5-8,14,18H,1-4H3/t14-/m1/s1
InChIKey
LYFZEFDZKPJBJK-CQSZACIVSA-N
Cross-matching ID
PubChem CID
122292
CAS Number
97217-84-0
TTD ID
D03IVC

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Voltage-gated L-type calcium channel (L-CaC) TTXHYV6 NOUNIPROTAC Activator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Molecular determinants of drug binding and action on L-type calcium channels. Annu Rev Pharmacol Toxicol. 1997;37:361-96.