Details of the Drug

General Information of Drug (ID: DM0YJHS)

Drug Name
[3H]LSD
Synonyms [3H]N,N-diethyllysergamide; [3H]lysergic acid diethylamide; [3H]lysergide
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) 329.5
Topological Polar Surface Area (xlogp) 3
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C20H25N3O
IUPAC Name
(6aR,9R)-N,N-diethyl-7-(tritritiomethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Canonical SMILES
[3H]C([3H])([3H])N1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N(CC)CC
InChI
InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1/i3T3
InChIKey
VAYOSLLFUXYJDT-QZGBZKRISA-N
Cross-matching ID
PubChem CID
44559100
TTD ID
D07HQZ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 2B receptor (HTR2B) TT0K1SC 5HT2B_HUMAN Agonist [2]
5-HT 2C receptor (HTR2C) TTWJBZ5 5HT2C_HUMAN Agonist [3]
5-HT 6 receptor (HTR6) TTJS8PY 5HT6R_HUMAN Agonist [4]
5-HT 7 receptor (HTR7) TTO9X1H 5HT7R_HUMAN Agonist [5]
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 6 receptor (HTR6) DTT HTR6 1.23E-05 -0.12 -0.71
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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