Details of the Drug

General Information of Drug (ID: DM09QLY)

Drug Name

RP-66055

Synonyms

CHEMBL405225

Indication

Disease Entry	ICD 11	Status	REF
Cerebral infarction	8B11.5Z	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

355.5

Logarithm of the Partition Coefficient (xlogp)

4.3

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C20H22FN3S
IUPAC Name: 3-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-1,3-benzothiazol-2-imine
Canonical SMILES: C1CN(CCC1C2=CC=C(C=C2)F)CCN3C4=CC=CC=C4SC3=N
InChI: InChI=1S/C20H22FN3S/c21-17-7-5-15(6-8-17)16-9-11-23(12-10-16)13-14-24-18-3-1-2-4-19(18)25-20(24)22/h1-8,16,22H,9-14H2
InChIKey: YIJMYOZUUPAERG-UHFFFAOYSA-N

Cross-matching ID

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)

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 800003439)
2	Synthesis, anticonvulsant and neuroprotective activities of RP 66055, a riluzole derivative. Bioorg Med Chem. 1994 Aug;2(8):793-8.