Table 1SAR Analysis and Properties of Substituted Phenyl Analogs

SAR AnalysisStructure
Image ml135fu2.jpg
Target Potency (μM)Anti-target Potency (μM)Selectivity**
EntryCIDSIDBroad ID*RYXIC50 _SKexpIC50 _ViabilitySelectivity
12769229104170243BRD-K40087974-001-07-1SHo-ClOMe1.9inactive1.9_vs_inactive
Solubility (PBS): <1 μM; Plasma Protein Binding (Human, Mouse): 99.0 %, 98.3%; Plasma Stability (Human, Mouse): 99.2 %, 89.3%;
Purity(UPLC): 100%
24692584599430894BRD-K81686587-001-01-2SHHOMe1.3inactive1.3_vs_inactive
Solubility (PBS): <1.0 μM; Purity(UPLC): 100%
34692584799430888BRD-K96338681-001-01-8SHo-CF3OMe1.1inactive1.1 _vs_inactive
Solubility (PBS): <1.0 μM; Purity(UPLC): 98%
44692583799430892BRD-K36483341-001-01-7SHo-FOMe1.4inactive1.4 _vs_inactive
Solubility (PBS): <1.0 μM; Purity(UPLC): 98%
54692584299430890BRD-K25063357-001-01-1SHo- OCF3OMe1.6inactive1.6_vs_inactive
Solubility (PBS): <1.0 μM; Purity(UPLC): 100%
64692585199430882BRD-K93675722-001-01-7SHo-OMeOMe5.3inactive5.3_vs_inactive
Solubility (PBS): <1.0 μM; Purity(UPLC): 99%
74692583099430886BRD-K49465738-001-01-0SHo-CNOMe18.0inactive18.0_vs_inactive
Solubility (PBS): <1.0 μM; Purity(UPLC): 99%
8276923087334020BRD-K36087356-001-01-8PHm-ClOMe15.5inactive15.5_vs_inactive
Solubility (PBS): 1.7 μM; Purity(UPLC): 99%
9147178787334032BRD-K70771662-001-01-3PHp-ClH4.079.320
Solubility (PBS): 2.0 μM; Purity(UPLC): 99%
104692585299430896BRD-K42335027-001-01-2SHp-OMeOMe34inactive34_vs_inactive
Solubility (PBS): <1.0 μM; Purity(UPLC): 100%
114692582999430884BRD-K42174655-001-01-4SHp-MeOMe220.0inactive220.0_vs_inactive
Solubility (PBS): <1.0 μM; Purity(UPLC): 100%
12276915887334029BRD-K43069600-001-01-1PHp-FMeinactiveinactiveinactive _vs_inactive
Solubility (PBS): 2.2 μM; Purity(UPLC): 96%
1349843050104170254BRD-K17727706-001-01-9So-Chloro benzoylo-ClOMe121.0inactive121.0 _vs_inactive
Solubility (PBS): <1.0 μM; Purity(UPLC): 97 %

P = Purchased;

*

S = synthesized;

**

Selectivity = IC50 _Viability/IC50 _SKexp

From: Identification of small molecules that selectively inhibit streptokinase expression without suppression of viability in Group A streptococci - Probe 3

Cover of Probe Reports from the NIH Molecular Libraries Program
Probe Reports from the NIH Molecular Libraries Program [Internet].

NCBI Bookshelf. A service of the National Library of Medicine, National Institutes of Health.