Details of the Drug

General Information of Drug (ID: DMYV9M1)

Drug Name
NS-1608
Synonyms
NS 1608; CHEMBL33891; NS-1608; Kinome_784; 160383-80-2; AC1L323R; CHEBI:34878; SureCN1463468; ns1608; SCHEMBL1463468; DTXSID80166870; N-(3-(Trifluoromethyl)phenyl)-N'-(2-hydroxy-5-chlorophenyl)urea; BDBM50158564; AKOS029964740; C13835; 1-(5-chloro-2-hydroxyphenyl)-3-(3-trifluoromethylphenyl)urea; 1-(5-chloro-2-hydroxy-phenyl)-3-[3-(trifluoromethyl)phenyl]urea; 1-(5-Chloro-2-hydroxy-phenyl)-3-(3-trifluoromethyl-phenyl)-urea
Indication
Disease Entry ICD 11 Status REF
Cerebrovascular ischaemia 8B1Z Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 330.69
Logarithm of the Partition Coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C14H10ClF3N2O2
IUPAC Name
1-(5-chloro-2-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
Canonical SMILES
C1=CC(=CC(=C1)NC(=O)NC2=C(C=CC(=C2)Cl)O)C(F)(F)F
InChI
InChI=1S/C14H10ClF3N2O2/c15-9-4-5-12(21)11(7-9)20-13(22)19-10-3-1-2-8(6-10)14(16,17)18/h1-7,21H,(H2,19,20,22)
InChIKey
KRHJDJMOIKRPNN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
133058
ChEBI ID
CHEMBL33891
CAS Number
160383-80-2
TTD ID
D0OY1V
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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 800006351)
2 Modulation of the Ca(2+)-dependent K+ channel, hslo, by the substituted diphenylurea NS 1608, paxilline and internal Ca2+. Neuropharmacology. 1996;35(7):903-14.