Molecule

None

AlkaPlorer ID: AK323046

Synonym: None

IUPAC Name: 1-(2,6-dibromo-4-propan-2-ylphenyl)-3-pyridin-3-ylurea

Structure

SMILES: CC(C)C1=CC(Br)=C(NC(O)=NC2=CC=CN=C2)C(Br)=C1

InChI: InChI=1S/C15H15Br2N3O/c1-9(2)10-6-12(16)14(13(17)7-10)20-15(21)19-11-4-3-5-18-8-11/h3-9H,1-2H3,(H2,19,20,21)

InChIKey: JFNKIJKRXKPQCC-UHFFFAOYSA-N

Reference

PubChem CID: 2810999

NPASS: NPC480067

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 413.11300000000006

TPSA？: 57.51

MolLogP？: 5.387600000000003

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	DNA polymerase beta	Potency	89125.1	nM	None
Homo sapiens	Fibroblast	Growth Rate	-0.99	None	10.6019/CHEMBL5303304
Homo sapiens	Fibroblast	Growth Rate	-0.82	None	10.6019/CHEMBL5303304
Homo sapiens	Fibroblast	Growth Rate	0.73	None	10.6019/CHEMBL5303304
Homo sapiens	Fibroblast	Growth Rate	0.89	None	10.6019/CHEMBL5303304
Homo sapiens	Glycoprotein hormones alpha chain	Potency	28183.8	nM	None
Homo sapiens	Guanine nucleotide-binding protein G(s), subunit alpha	Potency	11220.2	nM	None
Homo sapiens	HEK293	Activity	25.19	%	10.1016/j.ejmech.2022.114491
Homo sapiens	HEK293	Inhibition	2.85	%	10.1016/j.ejmech.2022.114162
Homo sapiens	HEK-293T	Growth Rate	0.84	None	10.6019/CHEMBL5303304
Homo sapiens	HEK-293T	Growth Rate	0.91	None	10.6019/CHEMBL5303304
Homo sapiens	HeLa	Activity	14.81	%	10.1016/j.ejmech.2022.114491
Homo sapiens	HeLa	Inhibition	9.12	%	10.1016/j.ejmech.2022.114162
Homo sapiens	P2X purinoceptor 2	IC50	nan	None	10.1016/j.ejmech.2022.114162
Homo sapiens	P2X purinoceptor 2	IC50	nan	None	10.1016/j.ejmech.2022.114491
Homo sapiens	P2X purinoceptor 4	IC50	500.0	nM	10.1021/acs.jmedchem.9b01304
Homo sapiens	P2X purinoceptor 4	IC50	540.0	nM	10.1021/acs.jnatprod.9b00410
Homo sapiens	P2X purinoceptor 4	IC50	550.0	nM	10.1021/acs.jnatprod.9b00410
Homo sapiens	P2X purinoceptor 4	IC50	780.0	nM	10.1021/acs.jmedchem.9b01304
Homo sapiens	P2X purinoceptor 4	IC50	904.0	nM	10.1016/j.ejmech.2022.114491
Homo sapiens	P2X purinoceptor 4	IC50	1300.0	nM	10.1021/acs.jnatprod.9b00410
Homo sapiens	P2X purinoceptor 4	IC50	1600.0	nM	10.1021/acs.jnatprod.9b00410
Homo sapiens	P2X purinoceptor 4	IC50	1950.0	nM	10.1021/acs.jmedchem.2c01197
Homo sapiens	P2X purinoceptor 4	Inhibition	75.0	%	10.1021/acs.jnatprod.9b00410
Homo sapiens	P2X purinoceptor 5	IC50	nan	None	10.1016/j.ejmech.2022.114162
Homo sapiens	P2X purinoceptor 5	IC50	nan	None	10.1016/j.ejmech.2022.114491
Homo sapiens	P2X purinoceptor 7	Activity	45.0	%	10.1016/j.ejmech.2022.114491
Homo sapiens	P2X purinoceptor 7	IC50	nan	None	10.1016/j.ejmech.2022.114162
Homo sapiens	P2X purinoceptor 7	IC50	nan	None	10.1021/acs.jnatprod.9b00410
Homo sapiens	U2OS	Growth Rate	-0.34	None	10.6019/CHEMBL5303304
Homo sapiens	U2OS	Growth Rate	0.98	None	10.6019/CHEMBL5303304
Mus musculus	Nuclear receptor ROR-gamma	Potency	316.2	nM	None
Plasmodium falciparum	Plasmodium falciparum	Potency	20786.5	nM	None
None	Unchecked	Activity	16.7	%	10.1016/j.ejmech.2022.114491
None	Unchecked	Inhibition	20.21	%	10.1016/j.ejmech.2022.114162
None	Unchecked	Potency	25118.9	nM	None