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
DrugBank ID
DB08601
TTD ID
D0CQ3A

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]
11-beta-hydroxysteroid dehydrogenase type 2 (HSD11B2) OTHF4H9U DHI2_HUMAN Gene/Protein Processing [3]
17-beta-hydroxysteroid dehydrogenase type 1 (HSD17B1) OT6EBDHM DHB1_HUMAN Gene/Protein Processing [4]
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 2 (HSD3B2) OT02MSKN 3BHS2_HUMAN Gene/Protein Processing [5]
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (SRD5A1) OTQRET2B S5A1_HUMAN Gene/Protein Processing [6]
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (SRD5A2) OTTG0NFD S5A2_HUMAN Gene/Protein Processing [6]
5-hydroxytryptamine receptor 2A (HTR2A) OTWXJX0M 5HT2A_HUMAN Gene/Protein Processing [7]
Alpha-actinin-1 (ACTN1) OTUCLNXH ACTN1_HUMAN Gene/Protein Processing [2]
Angiogenin (ANG) OT3ECS6P ANGI_HUMAN Gene/Protein Processing [2]
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 Tributyltin and triphenyltin induce 11-hydroxysteroid dehydrogenase 2 expression and activity through activation of retinoid X receptor . Toxicol Lett. 2020 Apr 1;322:39-49. doi: 10.1016/j.toxlet.2020.01.001. Epub 2020 Jan 9.
4 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.
5 Organotin exposure stimulates steroidogenesis in H295R Cell via cAMP pathway. Ecotoxicol Environ Saf. 2018 Jul 30;156:148-153.
6 Effects of butyltins on human 5alpha-reductase type 1 and type 2 activity. Steroids. 2002 Sep;67(10):859-67.
7 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.