Details of the Drug

General Information of Drug (ID: DM6OJI1)

Drug Name
DIAPLASININ
Synonyms Diaplasinin < USAN; PAI-749; 1-Benzyl-3-pentyl-2-[6-(1H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1H-indole
Indication
Disease Entry ICD 11 Status REF
Thrombosis DB61-GB90 Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 501.6
Logarithm of the Partition Coefficient (xlogp) 8
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C32H31N5O
IUPAC Name
1-benzyl-3-pentyl-2-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]indole
Canonical SMILES
CCCCCC1=C(N(C2=CC=CC=C21)CC3=CC=CC=C3)C4=CC5=C(C=C4)C=C(C=C5)OCC6=NNN=N6
InChI
InChI=1S/C32H31N5O/c1-2-3-5-13-29-28-12-8-9-14-30(28)37(21-23-10-6-4-7-11-23)32(29)26-16-15-25-20-27(18-17-24(25)19-26)38-22-31-33-35-36-34-31/h4,6-12,14-20H,2-3,5,13,21-22H2,1H3,(H,33,34,35,36)
InChIKey
BDPXZFKVHDEPIQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6450820
CAS Number
481631-45-2
TTD ID
D0XJ6C

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Endothelial plasminogen activator inhibitor (SERPINE1) TTTO43N PAI1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Thrombosis
ICD Disease Classification DB61-GB90
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Endothelial plasminogen activator inhibitor (SERPINE1) DTT SERPINE1 1.56E-01 0.05 0.14
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Effect of the small molecule plasminogen activator inhibitor-1 (PAI-1) inhibitor, PAI-749, in clinical models of fibrinolysis. J Thromb Haemost. 2010 Jun;8(6):1333-9.