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

Topological Polar Surface Area (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]

------------------------------------------------------------------------------------

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.
4	Two amino acid differences in the sixth transmembrane domain are partially responsible for the pharmacological differences between the 5-HT1D beta and 5-HT1E 5-hydroxytryptamine receptors. J Neurochem. 1996 Nov;67(5):2096-103.
5	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
6	Triptans in pregnancy. Ther Drug Monit. 2008 Feb;30(1):5-9.
7	Clinical pipeline report, company report or official report of Jazz Pharmaceuticals.
8	Company report (NeurAxon)
9	5-HT1B and other related serotonergic proteins are altered in APPswe mutation. Neurosci Lett. 2015 May 6;594:137-43.
10	Primary structure and functional characterization of a human 5-HT1D-type serotonin receptor. Mol Pharmacol. 1991 Aug;40(2):143-8.
11	Irritable bowel syndrome: new agents targeting serotonin receptor subtypes. Drugs. 2001;61(3):317-32.
12	An introduction to migraine: from ancient treatment to functional pharmacology and antimigraine therapy. Proc West Pharmacol Soc. 2002;45:199-210.
13	Efficacy and tolerability of subcutaneous almotriptan for the treatment of acute migraine: a randomized, double-blind, parallel-group, dose-finding study. Clin Ther. 2001 Nov;23(11):1867-75.
14	Clinical pipeline report, company report or official report of Neurim Pharmaceuticals.
15	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
16	Interactions between corticotropin-releasing hormone and serotonin: implications for the aetiology and treatment of anxiety disorders. Handb Exp Pharmacol. 2005;(169):181-204.
17	Effects of brexpiprazole, a novel serotonin-dopamine activity modulator, on phencyclidine-induced cognitive deficits in mice: a role for serotonin 5-HT1A receptors.Pharmacol Biochem Behav.2014 Sep;124:245-9.
18	2011 FDA drug approvals. Nat Rev Drug Discov. 2012 Feb 1;11(2):91-4.
19	Radium 223 dichloride for prostate cancer treatment. Drug Des Devel Ther. 2017 Sep 6;11:2643-2651.
20	Synthesis of new derivatives of 8-OH-DPAT: Influence of substitution on the aromatic ring on the pharmacological profile, Bioorg. Med. Chem. Lett. 3(10):2035-2038 (1993).
21	Urapidil. A reappraisal of its use in the management of hypertension. Drugs. 1998 Nov;56(5):929-55.
22	Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).
23	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800031127)