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AMG 176 | Antagonist of MCL1
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
MCL1
  • Ki:60 pM
Antagonist
1 nM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
TR-FRET
Selectivity Assessment Description:
Selective with BCL-xL 0.7 uM And BCL2 0.95 uM

Potency
Cellular
In Vitro

MCL1

Mode of Action: Antagonist

Structure-Activity-Relationship data available? No

In Vivo Validations

Mouse, Rat, Dog, Monkey
Dose: 30 and 60 mg/Kg , 50 and 100 mg/Kg
Route of delivery: Intravenous, Oral
Systemic clearance: 0.03 (m), 0.05 (R), 0.02 (D), 0.5 (M) L/h/Kg

Reference: --

Orthogonal Probes def

A-1210477
S63845

Chemical Information

Molecular Formula C33H41ClN2O5S
SMILEs CO[C@H]1/C=C/C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3
InChI InChI=1S/C33H41ClN2O5S/c1-21-6-4-8-30(40-3)27-12-9-25(27)18-36-19-33(15-5-7-23-16-26(34)11-13-28(23)33)20-41-31-14-10-24(17-29(31)36)32(37)35-42(38,39)22(21)2/h4,8,10-11,13-14,16-17,21-22,25,27,30H,5-7,9,12,15,18-20H2,1-3H3,(H,35,37)/b8-4+/t21-,22+,25-,27+,30-,33-/m0/s1
Molecular weight 612.24 Da
AlogP 5.898400000000006
HBond acceptors 7
HBond donors 1
Atoms 83

References

Publications

    Cross References

    canSARChEMBLBindingDBPDB

    Vendors

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    Expert Reviews

    by SERP
    (on 27 Oct 2020 )
    Cellular Use Rating
    In Model Organisms
    Targeting hMCL-1 by a small molecule is a challenge. The interaction of hMCL-1 and AMG 176 has been characterised (PDB: 6OVC) and this should be added to the review form. No information...
    by SERP
    (on 4 Nov 2020 )
    Cellular Use Rating
    In Model Organisms
    ...
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