(S)-1-(7-ETHYL-1H-FURO[2,3-G]INDAZOL-1-YL)PROPAN-2-AMINE

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Synonyms
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 QLOOWOVVZLBYHU-VIFPVBQESA-N
Smiles CCc1oc2ccc3cnn(C[C@H](C)N)c3c2c1
InChI
InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3/t9-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H17N3O
Molecular Weight 243.3
AlogP 2.34
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 56.98
Molecular species BASE
Aromatic Rings 3.0
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 Serotonin receptor
1-93 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
1-93 - - - -

Cross References

Resources Reference
ChEMBL CHEMBL407909
PubChem 3045225
SureChEMBL SCHEMBL1981665
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