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]
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
PubChem CID
5327011
CAS Number
1334474-30-4
UNII
7CMB6B4449
DrugBank ID
DB04327
TTD ID
D0U7YB
VARIDT ID
DR00294

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]
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.