Details of the Drug

General Information of Drug (ID: DMUQN83)

Drug Name

FL-386

Synonyms

Benzene sulfonic acid 2-(trans-4-isobutylcyclohexyl)-2-oxoethyl ester

Indication

Disease Entry	ICD 11	Status	REF
Hyperlipidaemia	5C80	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 (mw)

338.5

Logarithm of the Partition Coefficient (xlogp)

4.6

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C18H26O4S
IUPAC Name: [2-[4-(2-methylpropyl)cyclohexyl]-2-oxoethyl] benzenesulfonate
Canonical SMILES: CC(C)CC1CCC(CC1)C(=O)COS(=O)(=O)C2=CC=CC=C2
InChI: InChI=1S/C18H26O4S/c1-14(2)12-15-8-10-16(11-9-15)18(19)13-22-23(20,21)17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3
InChIKey: RLVLLBHWAQWLKL-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dihydrothymine dehydrogenase (DPYD)	TTZPS91	DPYD_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 800002285)
2	Effects of FL-386 on faecal lipid excretion in humans. J Int Med Res. 1993 Sep-Oct;21(5):225-33.