N-(2-(DIMETHYLAMINO)ETHYL)-3-(1H-INDOL-3-YL)PROPANAMIDE

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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 PACLDQDOWADBNF-UHFFFAOYSA-N
Smiles CN(C)CCNC(=O)CCc1c[nH]c2ccccc12
InChI
InChI=1S/C15H21N3O/c1-18(2)10-9-16-15(19)8-7-12-11-17-14-6-4-3-5-13(12)14/h3-6,11,17H,7-10H2,1-2H3,(H,16,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H21N3O
Molecular Weight 259.35
AlogP 1.96
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 48.13
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Rattus norvegicus
- - - - 28-101

Cross References

Resources Reference
ChEMBL CHEMBL2260855
PubChem 43397879
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