Standard InChI: InChI=1S/C20H16N2O2S.Na/c1-20(2,19(23)24)25-18-9-10-22-12-17(18)16-8-7-13(11-21)14-5-3-4-6-15(14)16;/h3-10,12H,1-2H3,(H,23,24);/q;+1/p-1
Standard InChI Key: SDJHWWWQAIRKKV-UHFFFAOYSA-M
Associated Targets(Human)
Solute carrier family 22 member 6 265 Activities
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Solute carrier family 22 member 12 799 Activities
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Solute carrier family 2, facilitated glucose transporter member 9 15 Activities
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ATP-binding cassette sub-family G member 2 4927 Activities
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HK-2 249 Activities
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Associated Targets(non-human)
Mus musculus 284745 Activities
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Molecule Features
Natural Product: No
Oral: No
Chemical Probe: No
Parenteral: No
Molecule Type:
Topical: No
First In Class: No
Black Box: No
Chirality: No
Availability: No
Prodrug: No
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Properties
Molecular Weight: 348.43
Molecular Weight (Monoisotopic): 348.0932
AlogP: 4.73
#Rotatable Bonds: 4
Polar Surface Area: 73.98
Molecular Species: ACID
HBA: 4
HBD: 1
#RO5 Violations: 0
HBA (Lipinski): 4
HBD (Lipinski): 1
#RO5 Violations (Lipinski): 0
CX Acidic pKa: 3.59
CX Basic pKa: 4.80
CX LogP: 3.12
CX LogD: 0.86
Aromatic Rings: 3
Heavy Atoms: 25
QED Weighted: 0.69
Np Likeness Score: -0.61
References
1.Zhao Z, Liu J, Kuang P, Luo J, Surineni G, Cen X, Wu T, Cao Y, Zhou P, Pang J, Zhang Q, Chen J.. (2022) Discovery of novel verinurad analogs as dual inhibitors of URAT1 and GLUT9 with improved Druggability for the treatment of hyperuricemia., 229 [PMID:34998055][10.1016/j.ejmech.2021.114092]
