Table 3Biological and Physical Properties of Substituted Indazoles (10 analogs)

SAR AnalysisStructureTarget Potency (μM)
Mean ± S.E.M
Anti-target Potency(μM)
Mean ± S.E.M
Entry No.CIDSIDBroad ID*R1R2CaCi-2aCaCi-2bCaCi-8aFibroblastsb
ncIC50ncIC50ncIC50ncIC50**
149835874103910845BRD-K76441112SMeH33.28 ± 1.062IA35.33 ± 0.72169.521
PBS Solubility: <1.0 μM Plasma Protein Binding: 95% Plasma Stability: <1.0% Purity (UPLC): 97%
249835837103910851BRD-K03923773SOMeH3IA2IA318.5 ± 7.61IAND
PBS Solubility: <1.0 μM Plasma Protein Binding: <1.0% Plasma Stability: <1.0% Purity (UPLC): >99%
349835889103910846BRD-K89892330SFH34.63 ± 0.302IA36.98 ± 0.691IAND
PBS Solubility: <1.0 μM Plasma Protein Binding: 96% Plasma Stability: 1.0% Purity (UPLC): 82%
4955113799245555BRD-K17052831SClH3IA4IA39.84 ± 1.033IAND
PBS Solubility: <1.0 μM Plasma Protein Binding: >99% Plasma Stability: <1.0% Purity (UPLC): 93%
549835872103910833BRD-K17372907SHMe33.14 ± 0.992IA29.62 ± 0.34131.610
PBS Solubility: <1.0 μM Plasma Protein Binding: 98% Plasma Stability: 6.5% Purity (UPLC): 87%
649835812103910841BRD-K59966621SHOMe37.37 ± 1.492IA312.7 ± 0.610.800.01
PBS Solubility: <1.0 μM Plasma Protein Binding: 38% Plasma Stability: 1.3% Purity (UPLC): 93%
749835815103910832BRD-K21644500SHF35.10 ± 0.962IA38.34 ± 4.301IAND
PBS Solubility: <1.0 μM Plasma Protein Binding: 97% Plasma Stability: 1.1% Purity (UPLC): 92%
849835818103910839BRD-K77651440SHCl33.79 ± 1.972IA38.57 ± 0.69129.97.9
PBS Solubility: <1.0 μM Plasma Protein Binding: 18% Plasma Stability: 90% Purity (UPLC): 92%
949835849103910808BRD-K95485521SHCF34IA3IA432.1 ± 17.41IAND
PBS Solubility: <1.0 μM Plasma Protein Binding: 62% Plasma Stability: 1.7% Purity (UPLC): 95%
1049835842103910809BRD-K32112425S1IA2IA1IA1IAND
PBS Solubility: <1.0 μM Plasma Protein Binding: >99% Plasma Stability: 50% Purity (UPLC): >99%

IA = Inactive; ND = Not determined;

*

S = synthesized; P = purchased;

**

CaCi-2 to anti-target fold selectivity

a

In the presence of fluconazole

b

In the absence of fluconazole

c

Number of replicates

S = synthesized; P = purchased;

CaCi-2 to anti-target fold selectivity

In the presence of fluconazole

In the absence of fluconazole

Number of replicates

From: Identification of small molecules that selectively inhibit fluconazole-resistant Candida albicans in the presence of fluconazole but not in its absence - Probe 2

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

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