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]
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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
CAS Number: 223104-29-8
TTD ID: D0IK1U

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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).