Details of the Drug

General Information of Drug (ID: DM3F5E0)

Drug Name

TEI-6122

Synonyms

TFC-612

Indication

Disease Entry	ICD 11	Status	REF
Diabetic complication	5A2Y	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

414.6

Logarithm of the Partition Coefficient (xlogp)

4

Rotatable Bond Count (rotbonds)

15

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C22H38O5S
IUPAC Name: methyl 6-[(1R,2S,3R)-3-hydroxy-2-[(E,5R)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]sulfanylhexanoate
Canonical SMILES: CCCC[C@@H](C)CC(/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1SCCCCCC(=O)OC)O)O
InChI: InChI=1S/C22H38O5S/c1-4-5-9-16(2)14-17(23)11-12-18-19(24)15-20(25)22(18)28-13-8-6-7-10-21(26)27-3/h11-12,16-19,22-24H,4-10,13-15H2,1-3H3/b12-11+/t16-,17?,18+,19-,22-/m1/s1
InChIKey: KMYUINCCFSNYPC-VPTZPLTNSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prostaglandin receptor (PTGR)	TT9B4N3	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 800003140)
2	The effect of a synthetic 7-thiaprostaglandin E1 derivative, TEI-6122, on monocyte chemoattractant protein-1 induced chemotaxis in THP-1 cells.. Br J Pharmacol. 1995 October; 116(4): 2298-2302.