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UNMCK90 | UNMCK90 : Inhibitor of AKR1C3
RATINGS:
Cellular Use: (2 reviews)

In Model Organisms: (2 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
AKR1C3
  • IC50:51 ± 6 nM
    Inhibitor
    1 µM

    Selectivity

    In Vitro Selectivity Assessment
    Potency Assay Off-Target:
    Selectivity within target family: AKR1C1 IC50 = >100 uM, AKR1C2 IC50 = 62 ± 21 uM, AKR1C4 IC50 = 43 ...

    Potency
    Cellular
    In Vitro

    AKR1C3

    Mode of Action: Inhibitor

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1021/acs.jmedchem.3c00732

    In Vivo Validations

    Mouse
    Dose: 50 mg/Kg
    Route of delivery: Intraperitoneal
    Plasma half life: 14.4 hr
    Systemic clearance: 19.4 ± 0.9 L/hr/Kg
    Cmax: 174.8 ± 138.5 ng/mL
    Tmax: 0.1 ± 0.1 hr
    Area Under the Curve:: 367.6 ± 57.7 hr x ng/mL
    Volume of Distribution at Steady-State: 405 ± 119.8 L/Kg
    Organ of interest (O): Tumor

    DOI Reference: 10.1021/acs.jmedchem.3c00732

    Negative Control Compounds

    CANSAR4199076
    Notes: Methyl ester prodrug for in vivo use for UNMCK90

    Chemical Information

    Molecular Formula C24H20N4O3
    SMILEs Cc1ccc(CNC(=O)c2cc(/C=C/C(=O)O)cc(-c3ccc4ncnn4c3)c2)cc1
    InChI InChI=1S/C24H20N4O3/c1-16-2-4-17(5-3-16)13-25-24(31)21-11-18(6-9-23(29)30)10-20(12-21)19-7-8-22-26-15-27-28(22)14-19/h2-12,14-15H,13H2,1H3,(H,25,31)(H,29,30)/b9-6+
    Molecular weight 412.15 Da
    AlogP 0.0
    HBond acceptors 7
    HBond donors 2
    Atoms 51

    Expert Reviews

    by SERP
    (on 22 Nov 2023 )
    Cellular Use Rating
    In Model Organisms
    The UNMCK90 putative probe compound is clearly a potent AKR1C3 inhibitor and shows very good selectivity over the closely related AKR1C1, 1C2 & 1C4 isozymes. However, I see no information regarding testing...
    by SERP
    (on 23 Nov 2023 )
    Cellular Use Rating
    In Model Organisms
    UNMCK90 is a prodrug which can be converted to its free acid, compound 5r, in mouse plasma (UNMCK90 was reduced to below detectable in30 min) and in vivo (UNMCK90 was undetectable after 1 h post administration).Compound...
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