Details of the Drug

General Information of Drug (ID: DM76TSG)

Drug Name
phosphatidylserine
Synonyms distearoylphosphatidylserine; LifeExtension PS Caps
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Affected Organisms
Humans and other mammals
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 385.3
Logarithm of the Partition Coefficient (xlogp) -3.5
Rotatable Bond Count (rotbonds) 15
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 11
ADMET Property
Absorption
The drug is absorbed in the small intestine []
Chemical Identifiers
Formula
C13H24NO10P
IUPAC Name
(2S)-2-amino-3-[[(2R)-2-butanoyloxy-3-propanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Canonical SMILES
CCCC(=O)O[C@H](COC(=O)CC)COP(=O)(O)OC[C@@H](C(=O)O)N
InChI
InChI=1S/C13H24NO10P/c1-3-5-12(16)24-9(6-21-11(15)4-2)7-22-25(19,20)23-8-10(14)13(17)18/h9-10H,3-8,14H2,1-2H3,(H,17,18)(H,19,20)/t9-,10+/m1/s1
InChIKey
UNJJBGNPUUVVFQ-ZJUUUORDSA-N
Cross-matching ID
PubChem CID
6323481
CAS Number
1446756-47-3
UNII
394XK0IH40
DrugBank ID
DB00144
TTD ID
D0K4SL
VARIDT ID
DR01405

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adhesion G protein-coupled receptor B1 (BAI1) TT5Z1WV AGRB1_HUMAN Agonist [2]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Breast cancer resistance protein (ABCG2) DTI7UX6 ABCG2_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: 3638).
2 BAI1 is an engulfment receptor for apoptotic cells upstream of the ELMO/Dock180/Rac module. Nature. 2007 Nov 15;450(7168):430-4.
3 ABCG2: a potential marker of stem cells and novel target in stem cell and cancer therapy. Life Sci. 2010 Apr 24;86(17-18):631-7.