Details of the Drug

General Information of Drug (ID: DMCAYXF)

Drug Name
alpha-methyl-5-HT
Synonyms alpha-Me-5-HT; alpha-methylserotonin
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) 190.24
Logarithm of the Partition Coefficient (xlogp) 0.6
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C11H14N2O
IUPAC Name
3-(2-aminopropyl)-1H-indol-5-ol
Canonical SMILES
CC(CC1=CNC2=C1C=C(C=C2)O)N
InChI
InChI=1S/C11H14N2O/c1-7(12)4-8-6-13-11-3-2-9(14)5-10(8)11/h2-3,5-7,13-14H,4,12H2,1H3
InChIKey
LYPCGXKCQDYTFV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2107
ChEBI ID
CHEMBL275854
CAS Number
304-52-9
TTD ID
D09OYA
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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 [2]
5-HT 1E receptor (HTR1E) TTCPG9S 5HT1E_HUMAN Agonist [3]
5-HT 1F receptor (HTR1F) TT0MI3F 5HT1F_HUMAN Agonist [4]
5-HT 2A receptor (HTR2A) TTJQOD7 5HT2A_HUMAN Agonist [5]
5-HT 2B receptor (HTR2B) TT0K1SC 5HT2B_HUMAN Agonist [6]
5-HT 2C receptor (HTR2C) TTWJBZ5 5HT2C_HUMAN Agonist [7]
5-HT 4 receptor (HTR4) TT07C3Y 5HT4R_HUMAN Agonist [8]
5-HT 6 receptor (HTR6) TTJS8PY 5HT6R_HUMAN Agonist [9]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 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. (Ligand id: 152).
2 Alniditan, a new 5-hydroxytryptamine1D agonist and migraine-abortive agent: ligand-binding properties of human 5-hydroxytryptamine1D alpha, human 5-hydroxytryptamine1D beta, and calf 5-hydroxytryptamine1D receptors investigated with [3H]5-hydroxytryptamine and [3H]alniditan. Mol Pharmacol. 1996 Dec;50(6):1567-80.
3 Molecular cloning and pharmacological characterization of the guinea pig 5-HT1E receptor. Eur J Pharmacol. 2004 Jan 26;484(2-3):127-39.
4 Cloning of another human serotonin receptor (5-HT1F): a fifth 5-HT1 receptor subtype coupled to the inhibition of adenylate cyclase. Proc Natl Acad Sci U S A. 1993 Jan 15;90(2):408-12.
5 Differential modes of agonist binding to 5-hydroxytryptamine(2A) serotonin receptors revealed by mutation and molecular modeling of conserved residues in transmembrane region 5. Mol Pharmacol. 2000 Nov;58(5):877-86.
6 The 5-HT4 receptor agonist, tegaserod, is a potent 5-HT2B receptor antagonist in vitro and in vivo. Br J Pharmacol. 2004 Nov;143(5):549-60.
7 High-affinity agonist binding correlates with efficacy (intrinsic activity) at the human serotonin 5-HT2A and 5-HT2C receptors: evidence favoring the ternary complex and two-state models of agonist action. J Neurochem. 1999 May;72(5):2127-34.
8 [3H]RS 57639, a high affinity, selective 5-HT4 receptor partial agonist, specifically labels guinea-pig striatal and rat cloned (5-HT4S and 5-HT4L) receptors. Neuropharmacology. 1997 Apr-May;36(4-5):671-9.
9 Identification of residues in transmembrane regions III and VI that contribute to the ligand binding site of the serotonin 5-HT6 receptor. J Neurochem. 1998 Nov;71(5):2169-77.