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
PubChem CID
6917049
CAS Number
136892-64-3
UNII
Q2XM6VR8DO
DrugBank ID
DB16148
TTD ID
D0D7UD

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.