Details of the Drug

General Information of Drug (ID: DM4KCYU)

Drug Name
[3H]8-OH-DPAT
Synonyms
8-OH-Dpat; 78950-78-4; 8-HYDROXY-2-(DI-n-PROPYLAMINO)TETRALIN; 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol; 8-Hydroxy-DPAT; CHEMBL56; Ro-31-8220 in solution; CHEBI:73364; 1-Naphthalenol, 7-(dipropylamino)-5,6,7,8-tetrahydro-; S(-)-8-HYDROXY-DPAT HYDROBROMIDE PARTIAL 5-HT1A SECROT; (+/-)-8-HYDROXY-2-DIPROPYL-AMINOTETRALIN; [3H]-8-OH-DPAT; (+/-)-8-Hydroxy-DPAT hydrobromide; [3H]8-OH-DPAT; (+-)-8-OH-DPAT; S(-)-8-OH-DPAT HBr; S(-)-8-Hydroxy-DPAT hydrobromide; dl-8-Hydroxy-2-(dipropylamino)tetralin; GTPL7; 8OH-DPAT
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) 247.38
Logarithm of the Partition Coefficient (xlogp) 4.1
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C16H25NO
IUPAC Name
7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
Canonical SMILES
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O
InChI
InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
InChIKey
ASXGJMSKWNBENU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1220
ChEBI ID
CHEMBL56
CAS Number
78950-78-4
TTD ID
D0O3GF
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Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
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 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 [3]
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

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: 31).
2 Effect of ring fluorination on the pharmacology of hallucinogenic tryptamines. J Med Chem. 2000 Nov 30;43(24):4701-10.
3 Actions of roxindole at recombinant human dopamine D2, D3 and D4 and serotonin 5-HT1A, 5-HT1B and 5-HT1D receptors. Naunyn Schmiedebergs Arch Pharmacol. 1999 Jun;359(6):447-53.