Molecule

3-(2-Phthalimidoethyl)indole

AlkaPlorer ID: AK519171

Synonym: None

IUPAC Name: 2-[2-(1H-indol-3-yl)ethyl]isoindole-1,3-dione

Structure

SMILES: O=C1C2=CC=CC=C2C(=O)N1CCC1=CNC2=CC=CC=C12

InChI: InChI=1S/C18H14N2O2/c21-17-14-6-1-2-7-15(14)18(22)20(17)10-9-12-11-19-16-8-4-3-5-13(12)16/h1-8,11,19H,9-10H2

InChIKey: SAQDVULJSRMFJO-UHFFFAOYSA-N

Reference

Essential oil composition of Valeriana officinalis L. roots cultivated in Iran

HPLC-Based Activity Profiling for GABA<sub>A</sub> Receptor Modulators in Extracts: Validation of an Approach Utilizing a Larval Zebrafish Locomotor Assay

PubChem CID: 288577

CAS: 15741-71-6

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 290.322

TPSA？: 53.17

MolLogP？: 3.006600000000001

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Equus caballus	Ferritin light chain	Potency	25118.9	nM	None
Homo sapiens	Alpha-galactosidase A	Potency	199.5	nM	None
Homo sapiens	ATPase family AAA domain-containing protein 5	Potency	2591.8	nM	None
Homo sapiens	ATPase family AAA domain-containing protein 5	Potency	12990.0	nM	None
Homo sapiens	Breast cancer type 1 susceptibility protein	Potency	2238.7	nM	None
Homo sapiens	Geminin	Potency	18356.4	nM	None
Homo sapiens	Guanine nucleotide-binding protein G(s), subunit alpha	Potency	2238.7	nM	None
Homo sapiens	HEK293	IC50	67533.0	nM	None
Homo sapiens	HEK293	Potency	29081.0	nM	None
Homo sapiens	Lysine-specific demethylase 4A	Potency	63095.7	nM	None
Homo sapiens	Lysosomal alpha-glucosidase	Potency	316.2	nM	None
Homo sapiens	Menin/Histone-lysine N-methyltransferase MLL	Potency	25118.9	nM	None
Homo sapiens	microRNA 21	Potency	2328.1	nM	None
Homo sapiens	Microtubule-associated protein tau	Potency	19952.6	nM	None
Homo sapiens	Niemann-Pick C1 protein	Potency	2511.9	nM	None
Homo sapiens	Nuclear receptor subfamily 0 group B member 1	IC50	67533.0	nM	None
Homo sapiens	Parathyroid hormone receptor	Potency	50118.7	nM	None
Homo sapiens	Ras-related protein Rab-9A	Potency	3548.1	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	7307.8	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	29092.9	nM	None
Photinus pyralis	Luciferin 4-monooxygenase	Potency	6745.6	nM	None
Plasmodium falciparum	Plasmodium falciparum	Potency	4147.5	nM	None
Staphylococcus aureus	Staphylococcus aureus	MIC	nan	ug.mL-1	10.1016/s0960-894x(00)00331-0
None	NON-PROTEIN TARGET	Activity	nan	None	10.1016/j.ejmech.2010.07.059
None	NON-PROTEIN TARGET	FC	1.46	None	10.1016/j.ejmech.2010.07.059
None	NON-PROTEIN TARGET	IC50	11100.0	nM	10.1016/j.ejmech.2010.07.059
None	NON-PROTEIN TARGET	IC50	40900.0	nM	10.1016/j.ejmech.2010.07.059
None	NON-PROTEIN TARGET	IC50	93000.0	nM	10.1016/j.ejmech.2010.07.059
None	NON-PROTEIN TARGET	IC50	nan	None	10.1016/j.ejmech.2010.07.059
None	NON-PROTEIN TARGET	Inhibition	nan	%	10.1016/j.ejmech.2010.07.059
None	No relevant target	IC50	nan	None	10.1016/j.ejmech.2010.07.059
None	Unchecked	AC40	2.19	uM	None
None	Unchecked	Potency	3548.1	nM	None
None	Unchecked	Potency	5623.4	nM	None