(+/-)-7-(DIPROPYLAMINO)-5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL

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Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key BLYMJBIZMIGWFK-UHFFFAOYSA-N
Smiles CCCN(CCC)C1CCc2ccc(O)cc2C1
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H25NO
Molecular Weight 247.38
AlogP 4.29
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 23.47
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
0.064-1.88 1.11-192 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Rattus norvegicus
0.064-1.88 1.11-192 - - -

Cross References

Resources Reference
ChEMBL CHEMBL285755
PubChem 1219
SureChEMBL SCHEMBL623950
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