General Information of Drug (ID: DMOFCRY)

Drug Name
Serotonin
Synonyms
serotonin; 5-HYDROXYTRYPTAMINE; 3-(2-Aminoethyl)-1H-indol-5-ol; 50-67-9; Enteramine; 5-HT; Serotonine; Thrombotonin; Thrombocytin; Antemovis; Ds substance; Hippophain; Antemoqua; Substance DS; Substanz DS; 1H-Indol-5-ol, 3-(2-aminoethyl)-; 5-Hta; Tryptamine, 5-hydroxy-; 3-(2-Aminoethyl)indol-5-ol; Enteramin; UNII-333DO1RDJY; Indol-5-ol, 3-(2-aminoethyl)-; 5-Hydroxy-3-(beta-aminoethyl)indole; 3-(beta-Aminoethyl)-5-hydroxyindole; EINECS 200-058-9; 3-(2-Amino-ethyl)-1H-indol-5-ol; BRN 0143524; 333DO1RDJY; CHEBI:28790
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 (mw) 176.21
Topological Polar Surface Area (xlogp) 0.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C10H12N2O
IUPAC Name
3-(2-aminoethyl)-1H-indol-5-ol
Canonical SMILES
C1=CC2=C(C=C1O)C(=CN2)CCN
InChI
InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
InChIKey
QZAYGJVTTNCVMB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5202
ChEBI ID
CHEBI:28790
CAS Number
50-67-9
DrugBank ID
DB08839
TTD ID
D0F6CD
VARIDT ID
DR00189
INTEDE ID
DR1961

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 1A receptor (HTR1A) TTSQIFT 5HT1A_HUMAN Inhibitor [2]
5-HT 1B receptor (HTR1B) TTK8CXU 5HT1B_HUMAN Inhibitor [3]
5-HT 1D receptor (HTR1D) TT6MSOK 5HT1D_HUMAN Inhibitor [4]
5-HT 2A receptor (HTR2A) TTJQOD7 5HT2A_HUMAN Inhibitor [2]
5-HT 2B receptor (HTR2B) TT0K1SC 5HT2B_HUMAN Inhibitor [5]
5-HT 2C receptor (HTR2C) TTWJBZ5 5HT2C_HUMAN Inhibitor [6]
5-HT 3A receptor (HTR3A) TTPC4TU 5HT3A_HUMAN Inhibitor [7]
5-HT 3B receptor (HTR3B) TTR6K75 5HT3B_HUMAN Inhibitor [7]
5-HT 4 receptor (HTR4) TT07C3Y 5HT4R_HUMAN Inhibitor [6]
5-HT 5A receptor (HTR5A) TTRUFDT 5HT5A_HUMAN Inhibitor [8]
5-HT 6 receptor (HTR6) TTJS8PY 5HT6R_HUMAN Inhibitor [9]
5-HT 7 receptor (HTR7) TTO9X1H 5HT7R_HUMAN Inhibitor [8]
Adenosine A3 receptor (ADORA3) TTJFY5U AA3R_HUMAN Inhibitor [10]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Sodium-dependent serotonin transporter (SLC6A4) DTAV4SY SC6A4_HUMAN Substrate [11]
Equilibrative nucleoside transporter 4 (SLC29A4) DT3EAQP S29A4_HUMAN Substrate [12]
Vesicular amine transporter 2 (SLC18A2) DTT7VPB VMAT2_HUMAN Substrate [13]
Vesicular amine transporter 1 (SLC18A1) DTM953D VMAT1_HUMAN Substrate [13]
Organic cation transporter 2 (SLC22A2) DT9IDPW S22A2_HUMAN Substrate [14]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Monoamine oxidase type A (MAO-A)
Main DME
DERE4TU AOFA_HUMAN Substrate [15]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Vesicular amine transporter 2 (SLC18A2) DTP VMAT2 1.71E-01 -6.86E-01 -8.11E-01
Vesicular amine transporter 1 (SLC18A1) DTP VMAT1 3.06E-01 -2.04E-01 -7.90E-01
Sodium-dependent serotonin transporter (SLC6A4) DTP SERT 2.81E-02 -2.78E-01 -1.13E+00
Organic cation transporter 2 (SLC22A2) DTP SLC22A2 4.95E-01 -1.32E-01 -3.77E-01
Equilibrative nucleoside transporter 4 (SLC29A4) DTP ENT4 9.03E-01 1.44E-01 4.54E-01
Monoamine oxidase type A (MAO-A) DME MAOA 2.61E-01 -1.87E-01 -8.22E-01
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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