General Information of Drug (ID: DM4FPM3)

Drug Name
Amediplase
Synonyms Amediplase [INN]; Trans,trans-3,4:12,13-Tetrahydroxy-3,4,12,13-tetrahydro-dibenz(a,h)anthracene; (3S,4S,12S,13S)-3,4,12,13-tetrahydronaphtho[1,2-b]phenanthrene-3,4,12,13-tetrol
Indication
Disease Entry ICD 11 Status REF
Myocardial infarction BA41-BA43 Phase 3 [1]
Thrombosis DB61-GB90 Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 346.4
Logarithm of the Partition Coefficient (xlogp) 1.7
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C22H18O4
IUPAC Name
(3S,4S,12S,13S)-3,4,12,13-tetrahydronaphtho[1,2-b]phenanthrene-3,4,12,13-tetrol
Canonical SMILES
C1=CC=C2C(=C1)[C@@H]([C@H](C3=C2C=C4C=CC5=C(C4=C3)C=C[C@@H]([C@H]5O)O)O)O
InChI
InChI=1S/C22H18O4/c23-19-8-7-13-15(20(19)24)6-5-11-9-17-12-3-1-2-4-14(12)21(25)22(26)18(17)10-16(11)13/h1-10,19-26H/t19-,20-,21-,22-/m0/s1
InChIKey
YQINXCSNGCDFCQ-CMOCDZPBSA-N
Cross-matching ID
PubChem CID
154656
CAS Number
151910-75-7
DrugBank ID
DB06679
TTD ID
D0G6ZG
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Urokinase-type plasminogen activator (PLAU) TTGY7WI UROK_HUMAN Activator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Myocardial infarction
ICD Disease Classification BA41-BA43
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Urokinase-type plasminogen activator (PLAU) DTT PLAU 5.32E-70 1.07 1.82
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Amediplase: CGP 42935, K2tu-PA, MEN 9036. BioDrugs. 2002;16(5):378-9.
2 Emerging drugs in peripheral arterial disease. Expert Opin Emerg Drugs. 2006 Mar;11(1):75-90.