Details of the Drug

General Information of Drug (ID: DMYTIP4)

Drug Name

Aleplasinin

Synonyms

PAZ-417; PAI inhibitors (Alzheimers disease), Wyeth; Plasminogen activator inhibitor inhibitors (Alzheimers disease),Wyeth

Indication

Disease Entry	ICD 11	Status	REF
Alzheimer disease	8A20	Phase 1	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

425.5

Logarithm of the Partition Coefficient (xlogp)

6.7

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C28H27NO3
IUPAC Name: 2-[1-[(4-tert-butylphenyl)methyl]-5-(3-methylphenyl)indol-3-yl]-2-oxoacetic acid
Canonical SMILES: CC1=CC(=CC=C1)C2=CC3=C(C=C2)N(C=C3C(=O)C(=O)O)CC4=CC=C(C=C4)C(C)(C)C
InChI: InChI=1S/C28H27NO3/c1-18-6-5-7-20(14-18)21-10-13-25-23(15-21)24(26(30)27(31)32)17-29(25)16-19-8-11-22(12-9-19)28(2,3)4/h5-15,17H,16H2,1-4H3,(H,31,32)
InChIKey: HSXLMAFNWCSZGP-UHFFFAOYSA-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	ClinicalTrials.gov (NCT00739037) Study Evaluating PAZ-417 in Cerebrospinal Fluid in Subjects With Alzheimer's Disease. U.S. National Institutes of Health.
2	CN patent application no. 102046168, Pai-1 expression and activity inhibitors for the treatment of ocular disorders.