Details of the Drug

General Information of Drug (ID: DMHN7CB)

Drug Name
Tributylstannanyl
Synonyms
Tributyltin; tributylstannanyl; Tributlytin; Tributylstannic hydride; TRIBUTYL TIN; Tri-n-butylstannane hydride; UNII-4XDX163P3D; Tin, tri-n-butyl-, hydride; HSDB 6362; EINECS 211-704-4; BRN 3587329; 4XDX163P3D; Stannane, tri-n-butyl-, hydride; 20763-88-6; Tri-n-butyltin hydride, 97%; tri-n-butylstannyl radical; tributyl-tin; TBY; TBTH; AC1MHUMB; AC1Q2UP8; ACMC-1B91A; DTXSID0040709; CTK1A6693; MolPort-003-928-307; PIILXFBHQILWPS-UHFFFAOYSA-N; MolPort-035-869-643; EBD10558; ANW-35557; MFCD00009416; ZINC169748512; AKOS015909735
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 290.05
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Chemical Identifiers
Formula
C12H27Sn
Canonical SMILES
CCCC[Sn](CCCC)CCCC
InChI
InChI=1S/3C4H9.Sn/c3*1-3-4-2;/h3*1,3-4H2,2H3;
InChIKey
PIILXFBHQILWPS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3032732
CAS Number
688-73-3
UNII
4XDX163P3D
DrugBank ID
DB08601
TTD ID
D0CQ3A
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Retinoic acid receptor RXR-alpha (RXRA) TT6PEUO RXRA_HUMAN Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 (PLCG1) OTSBQR6D PLCG1_HUMAN Gene/Protein Processing [2]
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2 (PLCG2) OTGVC9MY PLCG2_HUMAN Gene/Protein Processing [2]
17-beta-hydroxysteroid dehydrogenase type 1 (HSD17B1) OT6EBDHM DHB1_HUMAN Gene/Protein Processing [3]
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 2 (HSD3B2) OT02MSKN 3BHS2_HUMAN Gene/Protein Processing [4]
5-hydroxytryptamine receptor 2A (HTR2A) OTWXJX0M 5HT2A_HUMAN Gene/Protein Processing [5]
Alpha-actinin-1 (ACTN1) OTUCLNXH ACTN1_HUMAN Gene/Protein Processing [2]
ATP synthase subunit a (ATP6) OTPHOGLX ATP6_HUMAN Drug Response [6]
Azurocidin (AZU1) OTHXU264 CAP7_HUMAN Gene/Protein Processing [2]
Baculoviral IAP repeat-containing protein 2 (BIRC2) OTFXFREP BIRC2_HUMAN Gene/Protein Processing [7]
Baculoviral IAP repeat-containing protein 3 (BIRC3) OT3E95KB BIRC3_HUMAN Gene/Protein Processing [7]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
2 Inhibition of CXCL12-mediated chemotaxis of Jurkat cells by direct immunotoxicants. Arch Toxicol. 2016 Jul;90(7):1685-94. doi: 10.1007/s00204-015-1585-7. Epub 2015 Aug 28.
3 Organotin compounds enhance 17beta-hydroxysteroid dehydrogenase type I activity in human choriocarcinoma JAr cells: potential promotion of 17beta-estradiol biosynthesis in human placenta. Biochem Pharmacol. 2006 Apr 28;71(9):1349-57.
4 Organotin exposure stimulates steroidogenesis in H295R Cell via cAMP pathway. Ecotoxicol Environ Saf. 2018 Jul 30;156:148-153.
5 Tributyltin role on the serotonin and histamine receptors in human umbilical artery. Toxicol In Vitro. 2018 Aug;50:210-216. doi: 10.1016/j.tiv.2018.03.006. Epub 2018 Mar 24.
6 Effects of Tributyltin Chloride on Cybrids with or without an ATP Synthase Pathologic Mutation. Environ Health Perspect. 2016 Sep;124(9):1399-405. doi: 10.1289/EHP182. Epub 2016 Apr 29.
7 Toxicogenomic analysis identifies the apoptotic pathway as the main cause of hepatotoxicity induced by tributyltin. Food Chem Toxicol. 2016 Nov;97:316-326. doi: 10.1016/j.fct.2016.09.027. Epub 2016 Sep 24.