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ITI-214 | ITI-214 : Inhibitor of PDE1
RATINGS:
Cellular Use: (3 reviews)

In Model Organisms: (3 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
PDE1A
  • Ki:0.058 nM
    PDE1B
    • Ki:0.38 nM
      PDE1C
      • Ki:0.035 nM
        Inhibitor
        Reviewer recommends 3 or 6mpk for in vivo use based on available data.
        100 nM

        Selectivity

        In Vitro Selectivity Assessment
        Selectivity Assessment Description:
        PDE Family Selectivity in Ki (UM): PDE1 0.000058 PDE2A 18 PDE3B 3.1 PDE4A 0.16 PDE5A 0.63 PDE6 0.32 ...

        Potency
        Cellular
        In Vitro

        PDE1A

        Mode of Action: Inhibitor

        Structure-Activity-Relationship data available? No

        DOI Reference: 10.1021/acs.jmedchem.5b01751

        PDE1B

        Mode of Action: Inhibitor

        Structure-Activity-Relationship data available? No

        DOI Reference: 10.1021/acs.jmedchem.5b01751

        PDE1C

        Mode of Action: Inhibitor

        Structure-Activity-Relationship data available? No

        DOI Reference: 10.1021/acs.jmedchem.5b01751

        In Vivo Validations

        Rat
        Dose: 1 mg/Kg
        Route of delivery: Intravenous
        Plasma half life: 1.4 h
        Systemic clearance: 55 mL/min/Kg
        Area Under the Curve:: 300 ng*h/mL
        Volume of Distribution at Steady-State: 6.83 L/Kg

        DOI Reference: 10.1021/acs.jmedchem.5b01751

        Dose: 9.75 mg/Kg
        Route of delivery: Oral
        Plasma half life: 1.5 h
        Cmax: 252 ng/mL
        Tmax: 0.75h
        Area Under the Curve:: 802 ng*h/mL
        Bioavailability: 28%

        DOI Reference: 10.1021/acs.jmedchem.5b01751

        Mouse
        Dose: 10 mg/Kg
        Route of delivery: Oral
        Cmax: 490 (plasma), 287 (Brain) ng/mL
        Area Under the Curve:: 826 (plasma), 588 (Brain) ng*h/mL
        Organ of interest (O): brain/plasma ratio 0.7

        DOI Reference: 10.1007/s00213-016-4346-2

        Chemical Information

        Molecular Formula C29H26FN7O
        SMILEs CN1C(=O)c2c(nn(Cc3ccc(-c4cccc(F)n4)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12
        InChI InChI=1S/C29H26FN7O/c1-35-28(38)25-26(31-20-7-3-2-4-8-20)36(34-27(25)37-23-11-5-10-22(23)33-29(35)37)17-18-13-15-19(16-14-18)21-9-6-12-24(30)32-21/h2-4,6-9,12-16,22-23,31H,5,10-11,17H2,1H3/t22-,23+/m1/s1
        Molecular weight 507.22 Da
        AlogP 5.0588
        HBond acceptors 8
        HBond donors 1
        Atoms 64

        Vendors

        Note: This is not an exhaustive list and does not indicate endorsement by the portal.

        Expert Reviews

        by SERP
        (on 12 Jun 2022 )
        Cellular Use Rating
        In Model Organisms
        ITI-214 is one of the best compounds for evaluating the inhibitory effect of PDE1 in vivo.
        by SERP
        (on 13 Jun 2022 )
        Cellular Use Rating
        In Model Organisms
        The probe molecule was extensively tested in vitro and in vivo PK studies have been provided. Moreover, in vivo data is presented in the respective animals.
        by SERP
        (on 26 Sept 2022 )
        Cellular Use Rating
        In Model Organisms
        ITI-214 is a clinical candidate targeting phosphodiesterase 1 isoforms. While extensive enzymatic assay characterization is provided for ITI-214 and a wide range of analogs, no cellular assay data is...
        Note: The Chemical Probes Portal only endorses compounds as chemical probes for use as specific and selective modulators of the proposed target if they receive three or more (3-4) stars. Read more about our evaluation criteria