Details of the Drug

General Information of Drug (ID: DMSYT5P)

Drug Name
[125I]GTI
Synonyms serotonin-5-O-carboxymethyl-glycyl-(125I)tyrosinamide
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): 3 Molecular Weight (mw) 577.4
Logarithm of the Partition Coefficient (xlogp) 1.3
Rotatable Bond Count (rotbonds) 11
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C23H26IN5O5
IUPAC Name
(2S)-2-[[2-[[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]amino]acetyl]amino]-3-(4-hydroxy-3-(125I)iodanylphenyl)propanamide
Canonical SMILES
C1=CC(=C(C=C1C[C@@H](C(=O)N)NC(=O)CNC(=O)COC2=CC3=C(C=C2)NC=C3CCN)[125I])O
InChI
InChI=1S/C23H26IN5O5/c24-17-7-13(1-4-20(17)30)8-19(23(26)33)29-21(31)11-28-22(32)12-34-15-2-3-18-16(9-15)14(5-6-25)10-27-18/h1-4,7,9-10,19,27,30H,5-6,8,11-12,25H2,(H2,26,33)(H,28,32)(H,29,31)/t19-/m0/s1/i24-2
InChIKey
JVQSCVCNDUJMMW-BYWNROPASA-N
Cross-matching ID
PubChem CID
73755035
TTD ID
D0H6KD

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 1B receptor (HTR1B) TTK8CXU 5HT1B_HUMAN Agonist [2]
5-HT 1D receptor (HTR1D) TT6MSOK 5HT1D_HUMAN Agonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Direct visualization of serotonin1D receptors in the human brain using a new iodinated radioligand. Brain Res Mol Brain Res. 1992 Mar;13(1-2):175-8.
2 Autoradiographic characterisation and localisation of 5-HT1D compared to 5-HT1B binding sites in rat brain. Naunyn Schmiedebergs Arch Pharmacol. 1993 Jun;347(6):569-82.