Details of the Drug

General Information of Drug (ID: DMZT6JR)

Drug Name

5-OH-DPAT

Synonyms

5-OH-Dpat; CHEMBL273273; 68593-96-4; 6-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol; 6-dipropylaminotetralin-1-ol; 5-Hydroxy-2-N,N-dipropylaminotetralin; 5-Hydroxy-2-(di-n-propylamino)tetralin; (-)-5-hydroxy-2-(dipropylamino)tetralin; 6-Dipropylamino-5,6,7,8-tetrahydro-naphthalen-1-ol; GTPL128; SCHEMBL279021; AC1L58V4; 2-Dipropylamino-5-hydroxy-1,2,3,4-tetrahydronaphthalene; 5-hydroxy-2-(dipropylamino)tetralin; BDBM50020221; 5-hydroxy-N,N-dipropyl-2-aminotetralin; L000957; 1-Naphthalenol,; 6-dipropylaminotetralin-1-ol

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

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: 6-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
Canonical SMILES: CCCN(CCC)C1CCC2=C(C1)C=CC=C2O
InChI: InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3
InChIKey: MDBWEQVKJDMEMK-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 172267
CAS Number: 68593-96-4
TTD ID: D0H3KU

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 1B receptor (HTR1B)	TTK8CXU	5HT1B_HUMAN	Antagonist	[2]
Dopamine D2 receptor (D2R)	TTEX248	DRD2_HUMAN	Inhibitor	[3]
Dopamine D3 receptor (D3R)	TT4C8EA	DRD3_HUMAN	Inhibitor	[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
Dopamine D2 receptor (D2R)	DTT	DRD2	2.50E-02	-0.08	-0.49

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: 128).
2	Mouse 5HT1B serotonin receptor: cloning, functional expression, and localization in motor control centers. Proc Natl Acad Sci U S A. 1992 Apr 1;89(7):3020-4.
3	Development of (S)-N6-(2-(4-(isoquinolin-1-yl)piperazin-1-yl)ethyl)-N6-propyl-4,5,6,7-tetrahydrobenzo[d]-thiazole-2,6-diamine and its analogue as a... J Med Chem. 2010 Feb 11;53(3):1023-37.