Details of the Drug

General Information of Drug (ID: DM36JFP)

Drug Name

R-59494

Synonyms

R 59494; 136917-41-4; AC1L307W; DTXSID50160007; N-Methyl-N-(1-(4-phenoxybutyl)-3-pyrrolidinyl)-2-benzothiazolamine; N-methyl-N-[1-(4-phenoxybutyl)pyrrol-3-yl]-1,3-benzothiazol-2-amine; 2-Benzothiazolamine, N-methyl-N-(1-(4-phenoxybutyl)-1H-pyrrol-3-yl)-

Indication

Disease Entry	ICD 11	Status	REF
Ischemia	8B10-8B11	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

377.5

Logarithm of the Partition Coefficient (xlogp)

5.4

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C22H23N3OS
IUPAC Name: N-methyl-N-[1-(4-phenoxybutyl)pyrrol-3-yl]-1,3-benzothiazol-2-amine
Canonical SMILES: CN(C1=CN(C=C1)CCCCOC2=CC=CC=C2)C3=NC4=CC=CC=C4S3
InChI: InChI=1S/C22H23N3OS/c1-24(22-23-20-11-5-6-12-21(20)27-22)18-13-15-25(17-18)14-7-8-16-26-19-9-3-2-4-10-19/h2-6,9-13,15,17H,7-8,14,16H2,1H3
InChIKey: PFBZXLGUUGDBNI-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 132007
CAS Number: 136917-41-4
TTD ID: D0NF7S

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	[2]

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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 800002300)
2	Veratridine activates a silent sodium channel in rat isolated aorta. Eur J Pharmacol. 1992 Aug 25;219(2):253-9.