Details of the Drug

General Information of Drug (ID: DMVGNZJ)

Drug Name
KO-286011
Synonyms 132657-47-7
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 600.8
Logarithm of the Partition Coefficient (xlogp) 8.3
Rotatable Bond Count (rotbonds) 29
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C32H61N2O6P
IUPAC Name
4-[4-(dimethylamino)pyridin-1-ium-1-yl]butyl (2-ethoxy-3-hexadecoxypropyl) phosphate
Canonical SMILES
CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCCCC[N+]1=CC=C(C=C1)N(C)C)OCC
InChI
InChI=1S/C32H61N2O6P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20-27-37-29-32(38-6-2)30-40-41(35,36)39-28-21-19-24-34-25-22-31(23-26-34)33(3)4/h22-23,25-26,32H,5-21,24,27-30H2,1-4H3
InChIKey
ZVLFCHBGXDQHSD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
131539
CAS Number
132657-47-7
TTD ID
D04GGK

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 Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
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 Platelet-activating factor (PAF) inhibitory profile of KO-286011 on blood platelets in vitro and in vivo. Naunyn Schmiedebergs Arch Pharmacol. 1990 Dec;342(6):713-8.