Details of the Drug

General Information of Drug (ID: DMEAHFZ)

Drug Name
[3H]5-CT
Synonyms tritiated 5-carbamidotryptamine; [3H]5-carboxamidotryptamine
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 211.27
Logarithm of the Partition Coefficient (xlogp) -0.6
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C11H13N3O
IUPAC Name
3-(2-amino-1,1,2,2-tetratritioethyl)-1H-indole-5-carboxamide
Canonical SMILES
[3H]C([3H])(C1=CNC2=C1C=C(C=C2)C(=O)N)C([3H])([3H])N
InChI
InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)/i3T2,4T2
InChIKey
WKZLNEWVIAGNAW-DOMYTETQSA-N
Cross-matching ID
PubChem CID
53324620
TTD ID
D08PJK
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 1D receptor (HTR1D) TT6MSOK 5HT1D_HUMAN Agonist [1]
5-HT 5A receptor (HTR5A) TTRUFDT 5HT5A_HUMAN Agonist [2]
5-HT 5B receptor (HTR5B) TT9KJ1X HTR5B_HUMAN Agonist [3]
5-HT 6 receptor (HTR6) TTJS8PY 5HT6R_HUMAN Agonist [4]
5-HT 7 receptor (HTR7) TTO9X1H 5HT7R_HUMAN Agonist [5]
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References

1 Serotonin 5-HT1B and 5-HT1D receptors form homodimers when expressed alone and heterodimers when co-expressed. FEBS Lett. 1999 Jul 30;456(1):63-7.
2 Human 5-HT(5) receptors: the 5-HT(5A) receptor is functional but the 5-HT(5B) receptor was lost during mammalian evolution. Eur J Pharmacol. 2001 Apr 27;418(3):157-67.
3 Putative 5-ht5 receptors: localization in the mouse CNS and lack of effect in the inhibition of dural protein extravasation. Ann N Y Acad Sci. 1998 Dec 15;861:85-90.
4 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 11).
5 [(3)H]-SB-269970--A selective antagonist radioligand for 5-HT(7) receptors. Br J Pharmacol. 2000 May;130(2):409-17.