Details of the Drug

General Information of Drug (ID: DM1S5CB)

Drug Name
2-methyl-5-HT
Synonyms 2-methyl-5-hydroxytryptamine; 2-Me-5-HT; 2-methylserotonin
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) 1.4
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-aminoethyl)-2-methyl-1H-indol-5-ol
Canonical SMILES
CC1=C(C2=C(N1)C=CC(=C2)O)CCN
InChI
InChI=1S/C11H14N2O/c1-7-9(4-5-12)10-6-8(14)2-3-11(10)13-7/h2-3,6,13-14H,4-5,12H2,1H3
InChIKey
WYWNEDARFVJQSG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1574
ChEBI ID
CHEMBL266591
CAS Number
78263-90-8
TTD ID
D00CRA
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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
5-HT 1B receptor (HTR1B) TTK8CXU 5HT1B_HUMAN Agonist [1]
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 [3]
5-HT 2B receptor (HTR2B) TT0K1SC 5HT2B_HUMAN Agonist [4]
5-HT 3A receptor (HTR3A) TTPC4TU 5HT3A_HUMAN Agonist [5]
5-HT 3B receptor (HTR3B) TTR6K75 5HT3B_HUMAN Agonist [6]
5-HT 6 receptor (HTR6) TTJS8PY 5HT6R_HUMAN Agonist [7]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
5-HT 6 receptor (HTR6) DTT HTR6 6.43E-01 0.04 0.12
5-HT 6 receptor (HTR6) DTT HTR6 3.59E-02 -0.05 -0.48
5-HT 2B receptor (HTR2B) DTT HTR2B 1.29E-01 -0.04 -0.14
5-HT 2B receptor (HTR2B) DTT HTR2B 1.13E-01 -0.04 -0.26
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Human serotonin 1D receptor is encoded by a subfamily of two distinct genes: 5-HT1D alpha and 5-HT1D beta. Proc Natl Acad Sci U S A. 1992 Apr 15;89(8):3630-4.
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 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.
4 Pharmacological characteristics of the newly cloned rat 5-hydroxytryptamine2F receptor. Mol Pharmacol. 1993 Mar;43(3):419-26.
5 Pharmacological profile of YM-31636, a novel 5-HT3 receptor agonist, in vitro. Eur J Pharmacol. 2000 Dec 8;409(2):195-201.
6 The 5-HT3B subunit is a major determinant of serotonin-receptor function. Nature. 1999 Jan 28;397(6717):359-63.
7 Functional and radioligand binding characterization of rat 5-HT6 receptors stably expressed in HEK293 cells. Neuropharmacology. 1997 Apr-May;36(4-5):713-20.