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]
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
ChEBI ID
CHEMBL273273
CAS Number
68593-96-4
TTD ID
D0H3KU
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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 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) 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.