CodeNVN
Name1-[6,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]-3-[4-(dimethylamino)phenyl]urea
Synonyms
Identifier1-[6,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]-3-[4-(dimethylamino)phenyl]urea
FormulaC19 H18 F2 N4 O
Molecular Weight356.369
SMILESCc1cc(c2cc(cc(c2n1)F)F)NC(=O)Nc3ccc(cc3)N(C)C
PubChem4331799
Formal Charge0
Total Atoms44
Total Chiral Atoms0
Total Bonds46
Total Aromatic Bonds17
Networks1
 missing image

This ligand is also present in the following network:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
6TQ9 A Peptide Orexin OX1 Homo sapiens SB-408124 - - 2.65 2020-01-01 10.1021/acs.jmedchem.9b01787

A 2D representation of the interactions of NVN in 6TQ9
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:S103 R:R:Y348 7.63 0 No Yes 7 7 1 2
L:L:?1 R:R:S103 6.3 0 Yes No 0 7 0 1
R:R:Q126 R:R:V130 5.73 0 No No 8 7 1 2
L:L:?1 R:R:Q126 10.46 0 Yes No 0 8 0 1
R:R:A127 R:R:M176 4.83 0 No Yes 6 8 1 2
L:L:?1 R:R:A127 4.95 0 Yes No 0 6 0 1
R:R:I175 R:R:M176 4.37 3 No Yes 6 8 2 2
R:R:F219 R:R:I175 5.02 3 Yes No 6 6 1 2
R:R:F219 R:R:M176 7.46 3 Yes Yes 6 8 1 2
R:R:E204 R:R:Q179 8.92 4 Yes No 5 7 2 1
R:R:Q179 R:R:Y215 11.27 0 No Yes 7 7 1 2
L:L:?1 R:R:Q179 4.19 0 Yes No 0 7 0 1
R:R:F219 R:R:Y215 9.28 3 Yes Yes 6 7 1 2
R:R:F219 R:R:T223 5.19 3 Yes No 6 6 1 2
L:L:?1 R:R:F219 7.02 0 Yes Yes 0 6 0 1
L:L:?1 R:R:V106 3.12 0 Yes No 0 6 0 1
StatisticsValue
Average Number Of Links6.00
Average Number Of Links With An Hub1.00
Average Interaction Strength6.01
Average Nodes In Shell14.00
Average Hubs In Shell6.00
Average Links In Shell16.00
Average Links Mediated by Hubs In Shell15.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
StatisticsValue
Average Number Of Links6.00
Average Number Of Links With An Hub1.00
Average Interaction Strength6.01
Average Nodes In Shell14.00
Average Hubs In Shell6.00
Average Links In Shell16.00
Average Links Mediated by Hubs In Shell15.00

missing image


Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

missing image


Location of the nodes interacting with this ligand

(Click to enlarge 🔍)