Details of the Drug

General Information of Drug (ID: DMD7XWS)

Drug Name

AS-013

Synonyms

Circulase; Ecraprost; Prostaglandin E1 (liposomal), Mitsubishi Pharma/Asahi Glass

Indication

Disease Entry	ICD 11	Status	REF
Thrombosis	DB61-GB90	Phase 3	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

480.7

Logarithm of the Partition Coefficient (xlogp)

5.9

Rotatable Bond Count (rotbonds)

21

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C28H48O6
IUPAC Name: butyl 7-[(4R,5R)-2-butanoyloxy-4-hydroxy-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]heptanoate
Canonical SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=C1CCCCCCC(=O)OCCCC)OC(=O)CCC)O)O
InChI: InChI=1S/C28H48O6/c1-4-7-11-15-22(29)18-19-23-24(26(21-25(23)30)34-28(32)14-6-3)16-12-9-10-13-17-27(31)33-20-8-5-2/h18-19,22-23,25,29-30H,4-17,20-21H2,1-3H3/b19-18+/t22-,23+,25+/m0/s1
InChIKey: HITYEEHTEOQBAC-OSIGYOHNSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prostaglandin E2 receptor EP1 (PTGER1)	TTG1QMU	PE2R1_HUMAN	Agonist	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Effect of lipo-pro-prostaglandin E1, AS-013 on rat inner ear microcirculatory thrombosis. Prostaglandins Leukot Essent Fatty Acids. 1998 Sep;59(3):203-7.