Molecule

7-(3-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

AlkaPlorer ID: AK396691

Synonym: None

IUPAC Name: 7-[(3-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione

SMILES: CN1C(=O)C2=C(N=CN2CC2=CC=CC(Cl)=C2)N(C)C1=O

InChI: InChI=1S/C14H13ClN4O2/c1-17-12-11(13(20)18(2)14(17)21)19(8-16-12)7-9-4-3-5-10(15)6-9/h3-6,8H,7H2,1-2H3

InChIKey: HCNFLMYHWULFFT-UHFFFAOYSA-N

PubChem CID: 3243744

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Molecule Weight: 304.7370000000001

TPSA？: 61.82

MolLogP？: 1.1353999999999995

Number of H-Donors: 0

Number of H-Acceptors: 6

RingCount: 3

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Alpha-galactosidase A	Potency	44668.4	nM	None
Homo sapiens	DNA polymerase iota	Potency	89125.1	nM	None
Homo sapiens	Glutaminase kidney isoform, mitochondrial	Potency	3981.1	nM	None
Homo sapiens	Guanine nucleotide-binding protein G(s), subunit alpha	Potency	50118.7	nM	None
Homo sapiens	HepG2	Potency	22387.2	nM	None
Homo sapiens	Huntingtin	Potency	22387.2	nM	None
Homo sapiens	Isocitrate dehydrogenase [NADP] cytoplasmic	Potency	35481.3	nM	None
Homo sapiens	Lethal(3)malignant brain tumor-like protein 1	Potency	112.2	nM	None
Homo sapiens	Nuclear factor erythroid 2-related factor 2	Potency	20596.2	nM	None
Homo sapiens	Survival motor neuron protein	Potency	8912.5	nM	None
Homo sapiens	TAR DNA-binding protein 43	Potency	31622.8	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	10322.5	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	12995.3	nM	None
Homo sapiens	Ubiquitin-conjugating enzyme E2 N	IC50	10352.0	nM	None
Homo sapiens	Ubiquitin-conjugating enzyme E2 N	IC50	11227.0	nM	None
Mus musculus	Bcl-2-related protein A1	IC50	20000.0	nM	None
Plasmodium falciparum	Plasmodium falciparum	Potency	3.3	nM	None
Plasmodium falciparum	Plasmodium falciparum	Potency	928.5	nM	None
None	Unchecked	Potency	2511.9	nM	None
None	Unchecked	Potency	11220.2	nM	None
None	Unchecked	Potency	16353.5	nM	None