Details of the Drug

General Information of Drug (ID: DM0GQJ2)

Drug Name

Di-Stearoyl-3-Sn-Phosphatidylcholine

Synonyms

DI-STEAROYL-3-SN-PHOSPHATIDYLCHOLINE; DSPC;L-,-Distearoyl--lecithin; Distearoylphosphatidylcholine; AC1L3RPB; SCHEMBL10001505; ZINC85433138; DB04178; DB-027511; 816D944; O-(1-O,2-O-Distearoyl-L-glycero-3-phospho)choline

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): 3

Molecular Weight (mw)

791.2

Logarithm of the Partition Coefficient (xlogp)

15.7

Rotatable Bond Count (rotbonds)

44

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C44H89NO8P+
IUPAC Name: 2-[[(2R)-2,3-di(octadecanoyloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC
InChI: InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/p+1/t42-/m1/s1
InChIKey: NRJAVPSFFCBXDT-HUESYALOSA-O

Cross-matching ID

PubChem CID: 94191
DrugBank ID: DB04178
TTD ID: D06LYY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenine nucleotide translocator 1 (SLC25A4)	TTU5A6Q	ADT1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.