3-(1H-Benzimidazol-2-Yl)-7-(Diethylamino)Chromen-2-One

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL374632
PubChem:	94381
IUPAC:	3-(1H-benzimidazol-2-yl)-7-(diethylamino)chromen-2-one
Standard InChI:	InChI=1S/C20H19N3O2/c1-3-23(4-2)14-10-9-13-11-15(20(24)25-18(13)12-14)19-21-16-7-5-6-8-17(16)22-19/h5-12H,3-4H2,1-2H3,(H,21,22)
Standard InChI Key:	GOLORTLGFDVFDW-UHFFFAOYSA-N
SMILES:	CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c([nH]1)cccc2)CC

Molecular propeties
AlogP:	4.18
Hydrogen bonds acceptors:	4
Hydrogen bonds donors:	1
Rotatable bonds:	4
Number of rings:	4
Molecular Weight:	333.15
Topological polar surface area:	58.2
Number of aromatic rings:	4
Fsp3:	0.2
Number of carbons:	20

Plant sources

Part of plant	Plant name	Ref.
Plant	Glycyrrhiza glabra
Plant	Glycyrrhiza uralensis

Activity Type	Activity Value	Target Name	UniProt ID
Potency	891.3 nM	Ubiquitin carboxyl-terminal hydrolase 2	O75604
Potency	1122 nM	Prelamin-A/C	P02545
Potency	125.9 nM	Breast cancer type 1 susceptibility protein	P38398
Potency	316.2 nM	Huntingtin	P42858
Potency	446.7 nM	Histone-lysine N-methyltransferase MLL	Q03164
Potency	158.5 nM	Caspase-7	P55210
Potency	100 nM	Ras-related protein Rab-9A	P51151
Potency	1584.9 nM	Microtubule-associated protein tau	P10636
IC50	2324 nM	Protein tyrosine kinase 2 beta	Q14289
Potency	199.5 nM	Ubiquitin carboxyl-terminal hydrolase 2	O75604
Potency	281.8 nM	Niemann-Pick C1 protein	O15118
Potency	316.2 nM	Cellular tumor antigen p53	P04637
Potency	8912.5 nM	Serine-protein kinase ATM	Q13315
Potency	398.1 nM	Cellular tumor antigen p53	P04637
Potency	158.5 nM	Caspase-1	P29466
Potency	794.3 nM	Hemoglobin beta chain	P68871
Potency	12589.3 nM	Neuropeptide S receptor	Q6W5P4
Potency	100000 nM	DNA polymerase beta	P06746
Potency	4626.7 nM	Serine-protein kinase ATM	Q13315
Potency	15848.9 nM	Tumor susceptibility gene 101 protein	Q99816
Potency	29192.2 nM	Serine-protein kinase ATM	Q13315
EC50	434 nM	Voltage-gated T-type calcium channel alpha-1H subunit	O95180
Potency	2511.9 nM	Eyes absent homolog 2	O00167
Potency	145.8 nM	ATPase family AAA domain-containing protein 5	Q96QE3
Potency	183.6 nM	ATPase family AAA domain-containing protein 5	Q96QE3
Potency	4109.5 nM	Geminin	O75496
Potency	12589.3 nM	Glutaminase kidney isoform, mitochondrial	O94925
Potency	5173.5 nM	Geminin	O75496
Potency	794.3 nM	Ataxin-2	Q99700
Potency	2238.7 nM	Glycoprotein hormones alpha chain	P01215