General Information of Drug (ID: DMAZNVX)

Drug Name
YM-264
Synonyms
YM 264; 131888-54-5; 1-(3-Methyl-3-phenylbutyl)-4-(2-(3-pyridyl)thiazolidin-4-ylcarbonyl)piperazine fumarate; 1-(3-methyl-3-phenylbutyl]-4-[2-(3-pyridyl)thiazolidin-4-ylcarbonyl]piperazine fumarate; AC1O5RFQ; SCHEMBL9819914; SCHEMBL9819910; LBPPBLYOJCIZRW-WLHGVMLRSA-N; BCP20243; HY-101833; CS-0021927
Indication
Disease Entry ICD 11 Status REF
Sepsis 1G40-1G41 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
1
Molecular Weight 540.7
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 8
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 9
Chemical Identifiers
Formula
C28H36N4O5S
IUPAC Name
(E)-but-2-enedioic acid;[4-(3-methyl-3-phenylbutyl)piperazin-1-yl]-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone
Canonical SMILES
CC(C)(CCN1CCN(CC1)C(=O)C2CSC(N2)C3=CN=CC=C3)C4=CC=CC=C4.C(=C/C(=O)O)\\C(=O)O
InChI
InChI=1S/C24H32N4OS.C4H4O4/c1-24(2,20-8-4-3-5-9-20)10-12-27-13-15-28(16-14-27)23(29)21-18-30-22(26-21)19-7-6-11-25-17-19;5-3(6)1-2-4(7)8/h3-9,11,17,21-22,26H,10,12-16,18H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey
LBPPBLYOJCIZRW-WLHGVMLRSA-N
Cross-matching ID
PubChem CID
6439322
CAS Number
131888-54-5
TTD ID
D0W6AF

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Platelet-activating factor receptor (PTAFR) TTQL5VC PTAFR_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Sepsis
ICD Disease Classification 1G40-1G41
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Platelet-activating factor receptor (PTAFR) DTT PTAFR 3.53E-02 0.33 2.12
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Current Pharmaceutical Design. Page(175).
2 Effects of YM264, a novel PAF antagonist, on puromycin aminonucleoside-induced nephropathy in the rat. Biochem Biophys Res Commun. 1991 Apr 30;176(2):781-5.