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BI-9508 | BI-9508 : Agonist of GPR88
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
GPR88
    • EC50:47 nM
    Agonist
    up to 1 uM

    Selectivity

    In Vitro Selectivity Assessment
    Potency Assay Off-Target:
    Assessed in the CEREP SafetyScreen44 at 10 uM showing acceptable selectivity

    Potency
    Cellular
    In Vitro

    GPR88

    Mode of Action: Agonist

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1021/acs.jmedchem.4c00665

    In Vivo Validations

    Mouse
    Dose: 1 umol/Kg IV, 10 umol/Kg PO, 2 umol/Kg IP
    Route of delivery: Intravenous, Oral, Intraperitoneal
    Plasma half life: MRT 2.89 h
    Systemic clearance: 34.63% QH
    Cmax: 388.33 nM
    Tmax: 0.19 h
    Bioavailability: 10%
    Volume of Distribution at Steady-State: 5.44 L/Kg

    DOI Reference: 10.1021/acs.jmedchem.4c00665

    Negative Control Compounds

    BI-0823
    Notes: BI-0823 (cpd 7) is inactive in hGPR88 Gi1 BRET assay

    Chemical Information

    Molecular Formula C28H29F2N5O3
    SMILEs CC(C)Oc1ccc(-c2ccc(N(CCOC(F)F)C(=O)[C@@H]3C[C@H]3c3ccncn3)c3c2cnn3C)cc1
    InChI InChI=1S/C28H29F2N5O3/c1-17(2)38-19-6-4-18(5-7-19)20-8-9-25(26-23(20)15-33-34(26)3)35(12-13-37-28(29)30)27(36)22-14-21(22)24-10-11-31-16-32-24/h4-11,15-17,21-22,28H,12-14H2,1-3H3/t21-,22-/m1/s1
    Molecular weight 521.22 Da
    AlogP 5.193400000000004
    HBond acceptors 8
    HBond donors --
    Atoms 67

    Expert Reviews

    by SERP
    (on 31 Oct 2024)
    Cellular Use Rating
    In Model Organisms
    BI-9508, a compound developed through medicinal chemistry modification based on existing scaffold, has proven to be a promising active compound, demonstrating significant progress in both in vitro and...
    by SERP
    (on 19 Nov 2024)
    Cellular Use Rating
    In Model Organisms
    BI-9508 appears to be the best available tool compound as a GPR88 agonist (i.e. GPR88 agonistic chemical probe), making it valuable for in vitro studies and structural biology experiments. This compound...
    by SERP
    (on 12 Dec 2024)
    Cellular Use Rating
    In Model Organisms
    (The reviewer did not leave any public comments)
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