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NU227326 | NU227326 : Inhibitor of IDO1
RATINGS:
Cellular Use: (0 reviews)

In Model Organisms: (0 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
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Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
IDO1
  • Kd:140 nM
  • Kd:321 nM
  • DC50:4.6 nM
  • Dmax:63%
up to 100 nM, hook effect above this concentration

Selectivity

In Cell Selectivity Assessment
Potency Assay Off-Target:
To define the selectivity of the lead degrader and identify any other proteins that it degrade, NU22 ...

Potency
Cellular
In Vitro

IDO1

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1021/acs.jmedchem.5c00026

In Vivo Validations

Mouse
Dose: 50 mg/Kg
Route of delivery: Intraperitoneal
Plasma half life: 5.7 h plasma, 11.8 h brain
Systemic clearance: 1.9 (mg/Kg)/uM/h plasma, 51.4 (mg/Kg)/uM/h brain
Cmax: 6.5 uM, 0.1 uM
Tmax: 0.5 h plasma/brain
Area Under the Curve:: 26.9 uM*h plasma, 1.0 uM*h brain

DOI Reference: 10.1021/acs.jmedchem.5c00026

Negative Control Compounds

NU227428
Notes: NU227428 (cpd 24) was not able to degrade IDO1 in cells

Chemical Information

Molecular Formula C53H61FN8O7
SMILEs C[C@@H](C(=O)Nc1cccc(OC2CCN(C(=O)CN3CCC(N4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)CC2)c1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1
InChI InChI=1S/C53H61FN8O7/c1-33(34-5-7-35(8-6-34)42-15-20-55-46-12-9-36(54)29-44(42)46)50(65)56-37-3-2-4-41(30-37)69-40-18-23-61(24-19-40)49(64)32-58-21-16-38(17-22-58)59-25-27-60(28-26-59)39-10-11-43-45(31-39)53(68)62(52(43)67)47-13-14-48(63)57-51(47)66/h2-4,9-12,15,20,29-31,33-35,38,40,47H,5-8,13-14,16-19,21-28,32H2,1H3,(H,56,65)(H,57,63,66)/t33-,34-,35+,47?/m1/s1
Molecular weight 940.46 Da
AlogP 5.9801000000000055
HBond acceptors 15
HBond donors 2
Atoms 130

Expert Reviews

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