Details of the Drug

General Information of Drug (ID: DME69PI)

Drug Name
SEA-0400
Synonyms
SEA0400; 223104-29-8; SEA-0400; SEA 0400; 2-(4-((2,5-DIFLUOROBENZYL)OXY)PHENOXY)-5-ETHOXYANILINE; 2-[4-[(2,5-Difluorophenyl)methoxy]phenoxy]-5-ethoxybenzenamine; 2-[4-[(2,5-Difluorobenzyl)oxy]phenoxy]-5-ethoxyaniline; 2-[4-[(2,5-difluorophenyl)methoxy]phenoxy]-5-ethoxyaniline; 2-(4-(2,5-difluorobenzyloxy)phenoxy)-5-ethoxyaniline; 2-[4-(2,5-Difluorobenzyloxy)phenoxy]-5-ethoxyaniline; 2-{4-[(2,5-Difluorobenzyl)oxy]phenoxy}-5-ethoxyaniline; 2-{4-[(2,5-difluorophenyl)methoxy]phenoxy}-5-ethoxyaniline
Indication
Disease Entry ICD 11 Status REF
Cerebrovascular ischaemia 8B1Z Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 371.4
Logarithm of the Partition Coefficient (xlogp) 4.8
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C21H19F2NO3
IUPAC Name
2-[4-[(2,5-difluorophenyl)methoxy]phenoxy]-5-ethoxyaniline
Canonical SMILES
CCOC1=CC(=C(C=C1)OC2=CC=C(C=C2)OCC3=C(C=CC(=C3)F)F)N
InChI
InChI=1S/C21H19F2NO3/c1-2-25-18-8-10-21(20(24)12-18)27-17-6-4-16(5-7-17)26-13-14-11-15(22)3-9-19(14)23/h3-12H,2,13,24H2,1H3
InChIKey
YSUBLPUJDOWYDP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
644100
ChEBI ID
CHEMBL332214
CAS Number
223104-29-8
TTD ID
D0IK1U
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Sodium/calcium exchanger (SLC) TT619TC NOUNIPROTAC Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4617).
2 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4617).