Details of the Drug

General Information of Drug (ID: DMJLEV7)

Drug Name

FS-205-397

Synonyms

6-Ethoxy-3,3-dimethyl-2,3-dihydro-1H-indole methanesulfonate; 6-Ethoxy-3,3-dimethylindoline methanesulfonate

Indication

Disease Entry	ICD 11	Status	REF
Pain	MG30-MG3Z	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

287.38

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

2

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

5

Chemical Identifiers

Formula: C13H21NO4S
IUPAC Name: 6-ethoxy-3,3-dimethyl-1,2-dihydroindole;methanesulfonic acid
Canonical SMILES: CCOC1=CC2=C(C=C1)C(CN2)(C)C.CS(=O)(=O)O
InChI: InChI=1S/C12H17NO.CH4O3S/c1-4-14-9-5-6-10-11(7-9)13-8-12(10,2)3;1-5(2,3)4/h5-7,13H,4,8H2,1-3H3;1H3,(H,2,3,4)
InChIKey: QZTLHRAONHZQNK-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prostaglandin G/H synthase (COX)	TTK0943	PGH1_HUMAN ; PGH2_HUMAN	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 800003851)
2	FS 205-397: a new antipyretic analgesic with a paracetamol-like profile of activity but lack of acute hepatotoxicity in mice. Life Sci. 1988;43(11):905-12.