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TAK-981 | Inhibitor of SAE1, UBA2
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
SAE1
  • IC 50:1 nM
  • IC 50:15 nM; (32 - 46 nM, 0 - 8 h)
UBA2
  • IC 50:1 nM
  • IC 50:15 nM; (32 - 46 nM, 0 - 8 h)
Inhibitor
Up to 1 uM, followed by washout

Selectivity

In Vitro Selectivity Assessment
Selectivity Assessment Description:
IC50s of NAE and UAE are 960 and >1000 nM, respectively.

Potency
Cellular
In Vitro

SAE1

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1021/acs.jmedchem.0c01491

UBA2

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1021/acs.jmedchem.0c01491

In Vivo Validations

Rat
Dose: 1 (IV), 10 (PO) mg/Kg
Route of delivery: Intravenous, Subcutaneous
Plasma half life: 2.6 (B), 2.1 (P) h
Systemic clearance: 0.1 (B), 3.7 (P) L/h/Kg

DOI Reference: 10.1021/acs.jmedchem.0c01491

Chemical Information

Molecular Formula C25H28ClN5O5S2
SMILEs Cc1sc(C(=O)c2cncnc2N[C@H]2C[C@H](O)[C@@H](COS(N)(=O)=O)C2)cc1[C@@H]1NCCc2ccc(Cl)cc21
InChI InChI=1S/C25H28ClN5O5S2/c1-13-18(23-19-7-16(26)3-2-14(19)4-5-29-23)9-22(37-13)24(33)20-10-28-12-30-25(20)31-17-6-15(21(32)8-17)11-36-38(27,34)35/h2-3,7,9-10,12,15,17,21,23,29,32H,4-6,8,11H2,1H3,(H2,27,34,35)(H,28,30,31)/t15-,17-,21+,23+/m1/s1
Molecular weight 577.12 Da
AlogP 0.0
HBond acceptors 10
HBond donors 5
Atoms 66

References

Publications

Cross References

canSARChEMBLBindingDB

Vendors

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Expert Reviews

by SERP
(on 13 Sept 2021 )
Cellular Use Rating
In Model Organisms
( The reviewer did not leave any comments )
by SERP
(on 6 Oct 2021 )
Cellular Use Rating
In Model Organisms
TAK-981 is a potent and SAE selective modulator of sumoylation occupying ATP binding pocket and forming a SUMO−TAK-981 adduct. The compound is efficacious in cells and animal xenograft models.
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