Deoxyvasicinone

Representations & DB's id
ChEBI:	CHEBI:4435
ChEMBL:	CHEMBL456881
PubChem:	68261
IUPAC:	2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
Standard InChI:	InChI=1S/C11H10N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5H,3,6-7H2
Standard InChI Key:	VARHXCYGZKSOOO-UHFFFAOYSA-N
SMILES:	O=c1c2ccccc2nc2n1CCC2

Molecular propeties
AlogP:	1.34
Hydrogen bonds acceptors:	3
Hydrogen bonds donors:	0
Rotatable bonds:	0
Number of rings:	3
Molecular Weight:	186.08
Topological polar surface area:	32.7
Number of aromatic rings:	2
Fsp3:	0.273
Number of carbons:	11

Plant sources

Activity Type	Activity Value	Target Name	UniProt ID
Potency	25118.9 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	8912.5 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	39810.7 nM	Tyrosyl-DNA phosphodiesterase 1	Q9NUW8
Potency	39810.7 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	3162.3 nM	Arachidonate 15-lipoxygenase	P16050
Potency	28183.8 nM	Lethal(3)malignant brain tumor-like protein 1	Q9Y468
Potency	3981.1 nM	Ubiquitin carboxyl-terminal hydrolase 2	O75604
Potency	31622.8 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	14125.4 nM	Lysine-specific demethylase 4A	O75164
IC50	4320 nM	Putative hexokinase HKDC1	Q2TB90
Potency	31622.8 nM	Tyrosyl-DNA phosphodiesterase 1	Q9NUW8
IC50	80000 nM	Putative hexokinase HKDC1	Q2TB90
Potency	14125.4 nM	Bromodomain adjacent to zinc finger domain protein 2B	Q9UIF8
Potency	35481.3 nM	Glutaminase kidney isoform, mitochondrial	O94925
Potency	89.1 nM	Ataxin-2	Q99700
Potency	22387.2 nM	Werner syndrome ATP-dependent helicase	Q14191