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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: CHEBI:34878
CAS Number: 160383-80-2
TTD ID: D0OY1V

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)

MIA Detail

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.