Details of the Drug

General Information of Drug (ID: DMOPYWF)

Drug Name

phosphatidylethanolamine

Synonyms

cephalin

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

299.21

Logarithm of the Partition Coefficient (xlogp)

-4.4

Rotatable Bond Count (rotbonds)

11

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

9

Chemical Identifiers

Formula: C9H18NO8P
IUPAC Name: [(2R)-2-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropyl] acetate
Canonical SMILES: CC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)C
InChI: InChI=1S/C9H18NO8P/c1-7(11)15-5-9(18-8(2)12)6-17-19(13,14)16-4-3-10/h9H,3-6,10H2,1-2H3,(H,13,14)/t9-/m1/s1
InChIKey: CFWRDBDJAOHXSH-SECBINFHSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
ATP-binding cassette sub-family A member 4 (ABCA4)	DTM4YG0	ABCA4_HUMAN	Substrate	[2]
Probable phospholipid-transporting ATPase VA (ATP10A)	DTTQ8WI	AT10A_HUMAN	Substrate	[3]

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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: 2796).
2	The ATP-binding cassette transporter ABCA4: structural and functional properties and role in retinal disease. Adv Exp Med Biol. 2010;703:105-25.
3	Substrates of P4-ATPases: beyond aminophospholipids (phosphatidylserine and phosphatidylethanolamine). FASEB J. 2019 Mar;33(3):3087-3096.