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]
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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: CHEBI:73364
CAS Number: 78950-78-4
TTD ID: D0O3GF

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

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.