(7BR,10AR)-TETRADECAHYDRO-1H-CYCLOPENTA[B][1,4]DIAZEPINO[6,7,1-HI]INDOLE

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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 QBXWFBUGZQGGDY-MVYYYWNGSA-N
Smiles C1CC2CNCCN3[C@@H]4CCC[C@@H]4C(C1)C23
InChI
InChI=1S/C14H24N2/c1-3-10-9-15-7-8-16-13-6-2-4-11(13)12(5-1)14(10)16/h10-15H,1-9H2/t10?,11-,12?,13-,14?/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H24N2
Molecular Weight 220.35
AlogP 2.0
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 15.27
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 16.0

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
76 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
76 - - - -

Cross References

Resources Reference
ChEMBL CHEMBL2260568
PubChem 76319284
CONTENTS