Details of the Drug

General Information of Drug (ID: DMEG4TC)

Drug Name
Stannsoporfin
Synonyms SNMPP; Stanate; Sn Mesoporphyrin; Tin mesoporphyrin; Stanate (TN); Stannsoporfin (USAN/INN)
Indication
Disease Entry ICD 11 Status REF
Neonatal hyperbilirubinemia KA87 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
1		 Molecular Weight 754.3
Topological Polar Surface Area Not Available
Rotatable Bond Count 6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 10
ADMET Property
Half-life
The concentration or amount of drug in body reduced by one-half in 3.8 hours [2]
Chemical Identifiers
Formula
C34H36Cl2N4O4Sn
IUPAC Name
3-[18-(2-carboxylatoethyl)-8,13-diethyl-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydron;tin(4+);dichloride
Canonical SMILES
[H+].[H+].CCC1=C(C2=NC1=CC3=C(C(=C([N-]3)C=C4C(=C(C(=CC5=NC(=C2)C(=C5C)CC)[N-]4)C)CCC(=O)[O-])CCC(=O)[O-])C)C.[Cl-].[Cl-].[Sn+4]
InChI
InChI=1S/C34H38N4O4.2ClH.Sn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;;/h13-16H,7-12H2,1-6H3,(H4,35,36,37,38,39,40,41,42);2*1H;/q;;;+4/p-4
InChIKey
LLDZJTIZVZFNCM-UHFFFAOYSA-J
Cross-matching ID
PubChem CID
23725028
DrugBank ID
DB04912
TTD ID
D02JAY

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Heme oxygenase 1 (HMOX1) TTI6V2A HMOX1_HUMAN Inhibitor [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT01887327) Study Evaluating the Safety and Efficacy of Two Doses of Stannsoporfin in Combination With Phototherapy in Neonates With Hyperbilirubinemia. U.S. National Institutes of Health.
2 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3 Chemoprevention of severe neonatal hyperbilirubinemia. Semin Perinatol. 2004 Oct;28(5):365-8.
4 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
5 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
6 DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.
7 Adenovirus-mediated heme oxygenase-1 gene delivery inhibits injury-induced vascular neointima formation. Circulation. 2001 Nov 27;104(22):2710-5.