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
PubChem CID
10224267
CAS Number
481629-87-2
UNII
LL56J87F3X
DrugBank ID
DB12635
TTD ID
D0JI2E

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.