Details of the Drug

General Information of Drug (ID: DMIQCFG)

Drug Name

Ulinastatin

Synonyms

Urinastatin; Urinary trypsin inhibitor; Trypsin inhibitor MR-20; MR-20 (Magnetic powder); Uti(68); Acid-stable protease inhibitor; Urinary trypsin inhibitor (68); 2,4-Dioxaspiro[5.5]undec-8-ene, 3-(2-furanyl)-; 80449-31-6; Urinary trypsin inhibitor-like inhibitor (43); Trypsin inhibitor (human urine urinastatin protein moiety); 80449-32-7; 2,4-Dioxaspiro(5.5)undec-8-ene, 3-(2-furanyl)-; Miraclid; AC1L2Y1N; UTI68; 3-(2-Furanyl)-2,4-dioxaspiro(5.5)undec-8-ene; AC1Q70L4; AKOS025401879; CS-7119; MR 20 (magnetic p

Indication

Disease Entry	ICD 11	Status	REF
Premature labour	JB00	Phase 3	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

220.26

Logarithm of the Partition Coefficient (xlogp)

2.1

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C13H16O3
IUPAC Name: 3-(furan-2-yl)-2,4-dioxaspiro[5.5]undec-9-ene
Canonical SMILES: C1CC2(CC=C1)COC(OC2)C3=CC=CO3
InChI: InChI=1S/C13H16O3/c1-2-6-13(7-3-1)9-15-12(16-10-13)11-5-4-8-14-11/h1-2,4-5,8,12H,3,6-7,9-10H2
InChIKey: ODVKSTFPQDVPJZ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 105102
CAS Number: 80449-32-7
DrugBank ID: DB12038
TTD ID: D0DF1R

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cationic trypsinogen (PRSS1)	TT2WR1T	TRY1_HUMAN	Modulator	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Intravenous administration of ulinastatin (human urinary trypsin inhibitor) in severe sepsis: a multicenter randomized controlled study. Intensive Care Med. 2014 Jun;40(6):830-8.