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IHMT-IDH1-053 | IHMT-IDH1-053 : Covalent Inhibitor of IDH1
RATINGS:
Cellular Use: (0 reviews)

In Model Organisms: (0 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
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Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
IDH1 (Mutant:R132H)
  • IC50:4.7 nM
  • Ki:37 nM
  • IC50:28 nM
  • Activity:~15% @ 72h at 10 µM
Covalent Inhibitor
up to 10 uM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
Specificity of IDH1-053 against wild-type (WT) and mutant IDH1/2 was assessed in a biochemical assay ...
Selectivity Assessment Description:
IDH1-053 exhibited specific activities against mutant IDH1 including R132H and R132C over IDH1 WT an ...

Potency
Cellular
In Vitro

IDH1 (Mutant:R132H)

Mode of Action: Covalent Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1016/j.ejmech.2023.115411

In Vivo Validations

Rat
Dose: 1 mg/Kg
Route of delivery: Intravenous
Plasma half life: 0.16 ± 0.02 h
Systemic clearance: 23996 ± 6795 mL/h/Kg
Cmax: 199.67 ± 105.26 ng/mL
Tmax: 0.03 ± 0.00 h
Area Under the Curve:: 267.61 ± 12.02 h*ng/mL
Volume of Distribution at Steady-State: 5391 ± 1028 L/Kg

DOI Reference: 10.1016/j.ejmech.2023.115411

Dose: 10 mg/Kg
Route of delivery: Oral
Plasma half life: 0.30 ± 0.09 h
Systemic clearance: 260239 ± 81419 mL/h/Kg
Cmax: 88.13 ± 46.67 ng/mL
Tmax: 0.25 ± 0.00 h
Area Under the Curve:: 36.31 ± 12.31 h*ng/mL
Bioavailability: 9.26 ± 0.02%
Volume of Distribution at Steady-State: 118878 ± 69773 mL/Kg

DOI Reference: 10.1016/j.ejmech.2023.115411

Negative Control Compounds

cpd 17
Notes: cpd 17 binds reversably with IC50s 143 ± 6.9 nM and 1472 nM in biochemical and cellular assays respectively.

Chemical Information

Molecular Formula C25H33FN6O4S
SMILEs C=CS(=O)(=O)NC1CCN(c2ccc([C@H](C)Nc3ncc(F)c(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)CC1
InChI InChI=1S/C25H33FN6O4S/c1-5-37(34,35)30-19-10-12-31(13-11-19)20-8-6-18(7-9-20)17(4)28-24-27-14-21(26)23(29-24)32-22(16(2)3)15-36-25(32)33/h5-9,14,16-17,19,22,30H,1,10-13,15H2,2-4H3,(H,27,28,29)/t17-,22+/m0/s1
Molecular weight 532.23 Da
AlogP 3.801700000000003
HBond acceptors 10
HBond donors 2
Atoms 70
PAINS * Yes

* This is an automated alert only, and may not necessarily indicate an issue with this probe. ( Learn more about PAINS )

References

Publications

Cross References

ChEMBL BindingDB PubChem canSAR

Expert Reviews

No SERP comments found for IHMT-IDH1-053

Probe IHMT-IDH1-053 is in the process of SERP review.

Please continue to check back for new reviews and commentary.