Details of the Drug

General Information of Drug (ID: DM2PW8T)

Drug Name
[3H]7-OH-DPAT
Synonyms
7-(Dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol; 7-OH-DPAT; 7-Ohdpat; DP-7-AT; 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol; 7-Hydroxy-N,N-di-n-propyl-2-aminotetralin; 7-Hydroxy-2-N,N-dipropylaminotetralin; N,N-Di-n-propyl-7-hydroxy-2-aminotetralin; CHEMBL285755; 7-(Dipropylamino)-5,6,7,8-tetrahydro-2-naphthalenol; 2-Naphthalenol, 7-(dipropylamino)-5,6,7,8-tetrahydro-; 7-Hydroxy-DPAT hydrobromide; (+)-7-(Dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol hydrobromide; [3H]-7-OH-DPAT; (+)7-OH-DPAT; AC1Q7AGR; AC1L1AZK; [3H]-7-OH-DPAT; (+/-)-7-hydroxy-2-(N,N-di-n-propylamino)tetralin
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
7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
Canonical SMILES
CCCN(CCC)C1CCC2=C(C1)C=C(C=C2)O
InChI
InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3
InChIKey
BLYMJBIZMIGWFK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1219
ChEBI ID
CHEMBL111176
CAS Number
74938-11-7
TTD ID
D03PYX
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dopamine D2 receptor (D2R) TTEX248 DRD2_HUMAN Inhibitor [2]
Dopamine D3 receptor (D3R) TT4C8EA DRD3_HUMAN Agonist [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: 950).
2 Structurally constrained hybrid derivatives containing octahydrobenzo[g or f]quinoline moieties for dopamine D2 and D3 receptors: binding character... J Med Chem. 2008 Dec 25;51(24):7806-19.
3 Radioligand binding characterization of putative dopamine D3 receptor in human peripheral blood lymphocytes with [3H]7-OH-DPAT. J Neuroimmunol. 1995 May;58(2):139-44.