Standard InChI: InChI=1S/C24H28N2O6/c1-14-16(3-4-17-18(14)12-31-22(17)29)20(27)11-25-8-5-24(6-9-25)7-10-26(23(24)30)19-13-32-21(28)15(19)2/h3-4,20,27H,5-13H2,1-2H3/t20-/m0/s1
The page will load shortly, Thanks for your patience!
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
The page will load shortly, Thanks for your patience!
Calculated Properties
Molecular Weight: 440.50
Molecular Weight (Monoisotopic): 440.1947
AlogP: 1.84
#Rotatable Bonds: 4
Polar Surface Area: 96.38
Molecular Species: BASE
HBA: 7
HBD: 1
#RO5 Violations: ┄
HBA (Lipinski): 8
HBD (Lipinski): 1
#RO5 Violations (Lipinski): ┄
CX Acidic pKa: 13.35
CX Basic pKa: 8.62
CX LogP: 1.40
CX LogD: 0.16
Aromatic Rings: 1
Heavy Atoms: 32
QED Weighted: 0.71
Np Likeness Score: 0.20
References
1. (2015) Inhibitors of the renal outer medullary potassium channel,
2.Jiang J, Ding FX, Zhou X, Bateman TJ, Dong S, Gu X, Keh deJesus R, Pio B, Tang H, Chobanian HR, Levorse D, Hu M, Thomas-Fowlkes B, Margulis M, Koehler M, Weinglass A, Gibson J, Houle K, Yudkovitz J, Hampton C, Pai LY, Samuel K, Cutarelli T, Sullivan K, Parmee ER, Davies I, Pasternak A.. (2021) Discovery of MK-8153, a Potent and Selective ROMK Inhibitor and Novel Diuretic/Natriuretic., 64 (11.0):[PMID:34038119][10.1021/acs.jmedchem.1c00406]