Details of the Drug

General Information of Drug (ID: DMOGQ2L)

Drug Name

T-686

Synonyms

PAI-1 inhibitor, Tanabe

Indication

Disease Entry	ICD 11	Status	REF
Arteriosclerosis	BD40	Terminated	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

365.4

Logarithm of the Partition Coefficient (xlogp)

3.1

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C21H19NO5
IUPAC Name: (3E,4E)-3-benzylidene-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrrolidine-2,5-dione
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)/C=C/2\\C(=C/C3=CC=CC=C3)\\C(=O)NC2=O
InChI: InChI=1S/C21H19NO5/c1-25-17-11-14(12-18(26-2)19(17)27-3)10-16-15(20(23)22-21(16)24)9-13-7-5-4-6-8-13/h4-12H,1-3H3,(H,22,23,24)/b15-9+,16-10+
InChIKey: YQALUFAJAWGTQV-KAVGSWPWSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Plasminogen activator inhibitor (PAI)	TT5QA2I	PAI1_HUMAN ; PAI2_HUMAN ; IPSP_HUMAN	Inhibitor	[2]

------------------------------------------------------------------------------------

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 800008057)
2	T-686, a novel inhibitor of plasminogen activator inhibitor-1, inhibits thrombosis without impairment of hemostasis in rats. Eur J Pharmacol. 1997 Jul 9;330(2-3):151-6.