General Information of Drug (ID: DM260KD)

Drug Name
5-CT
Synonyms 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) 203.24
Topological Polar Surface Area (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-aminoethyl)-1H-indole-5-carboxamide
Canonical SMILES
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN
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)
InChIKey
WKZLNEWVIAGNAW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1809
ChEBI ID
CHEBI:48292
CAS Number
74885-09-9
TTD ID
D02UWB

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 Agonist [2]
5-HT 1B receptor (HTR1B) TTK8CXU 5HT1B_HUMAN Agonist [3]
5-HT 1D receptor (HTR1D) TT6MSOK 5HT1D_HUMAN Agonist [4]
5-HT 1E receptor (HTR1E) TTCPG9S 5HT1E_HUMAN Agonist [5]
5-HT 1F receptor (HTR1F) TT0MI3F 5HT1F_HUMAN Agonist [6]
5-HT 2A receptor (HTR2A) TTJQOD7 5HT2A_HUMAN Agonist [7]
5-HT 2B receptor (HTR2B) TT0K1SC 5HT2B_HUMAN Agonist [8]
5-HT 2C receptor (HTR2C) TTWJBZ5 5HT2C_HUMAN Agonist [9]
5-HT 5A receptor (HTR5A) TTRUFDT 5HT5A_HUMAN Agonist [10]
5-HT 6 receptor (HTR6) TTJS8PY 5HT6R_HUMAN Agonist [11]
5-HT 7 receptor (HTR7) TTO9X1H 5HT7R_HUMAN Agonist [12]
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
5-HT 1A receptor (HTR1A) DTT HTR1A 2.18E-01 -0.11 -0.51
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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