Details of the Drug

General Information of Drug (ID: DM3H82Q)

Drug Name
NS-7
Synonyms (3r)-3-Cyclopentyl-6-Methyl-7-[(4-Methylpiperazin-1-Yl)sulfonyl]-3,4-Dihydro-2h-1,2-Benzothiazine 1,1-Dioxide; DB08305; NS7
Indication
Disease Entry ICD 11 Status REF
Nerve injury ND56.4 Phase 2 [1]
Therapeutic Class
Analgesics
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 393.9
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Chemical Identifiers
Formula
C21H29ClFN3O
IUPAC Name
4-(4-fluorophenyl)-2-methyl-6-(5-piperidin-1-ylpentoxy)pyrimidine;hydrochloride
Canonical SMILES
CC1=NC(=CC(=N1)OCCCCCN2CCCCC2)C3=CC=C(C=C3)F.Cl
InChI
InChI=1S/C21H28FN3O.ClH/c1-17-23-20(18-8-10-19(22)11-9-18)16-21(24-17)26-15-7-3-6-14-25-12-4-2-5-13-25;/h8-11,16H,2-7,12-15H2,1H3;1H
InChIKey
VLYZLIWXMLUPLD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9800750
CAS Number
178429-67-9
DrugBank ID
DB08305
TTD ID
D04XZE

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Sodium channel unspecific (NaC) TTRK8B9 NOUNIPROTAC Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Preferential inhibition by a novel Na(+)/Ca(2+) channel blocker NS-7 of severe to mild hypoxic injury in rat cerebrocortical slices: A possible involvement of a highly voltage-dependent blockade of Ca(2+) channel. J Pharmacol Exp Ther. 2000 May;293(2):522-9.