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Tacrolimus | Tacrolimus : Inhibitor, Molecular Glue of FKBP1A
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
FKBP1A
  • Kd:0.4 nM
  • IC50:0.19 nM
  • IC50:0.29 nM
  • IC50:0.18 nM
  • IC50:0.06 nM
  • IC50:0.06 nM
  • IC50:0.95 nM
Molecular Glue
up to 1 uM

Selectivity

In Vitro Selectivity Assessment

Potency: Ki - FKBP12.6 0.55 nM, FKBP37 4 nM, FKBP52 10 nM, CyP-A 2 nM, CyP-C 4 nM, CyP-D 3.6 nM

Selectivity Assessment Description:
Activity (Ki) against FKBP human immunophilins: FKBP12.6 0.55 nM, FKBP13 38 nM, FKBP25 160 nM, FK ...

Potency
Cellular
In Vitro

FKBP1A

Mode of Action: Molecular Glue

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1073/pnas.89.9.3686

In Vivo Validations

Rat
Dose: 1, 2, 5, 10 mg/Kg
Route of delivery: Intravenous, Oral, Subcutaneous
Plasma half life: 6.4 h
Systemic clearance: 1.59 L/h/Kg
Target engagement assay: Allergen OA-induced eosinophil influx inhibition (ED50 0.3 mg/Kg)

DOI Reference: 10.1073/pnas.89.9.3686

Chemical Information

Molecular Formula C44H69NO12
SMILEs C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
InChI InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1
Molecular weight 803.48 Da
AlogP 4.639
HBond acceptors 13
HBond donors 3
Atoms 126

Vendors

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Expert Reviews

by SERP
(on 4 Jan 2022 )
Cellular Use Rating
In Model Organisms
( The reviewer did not leave any comments )
by SERP
(on 11 Jan 2022 )
Cellular Use Rating
In Model Organisms
( The reviewer did not leave any comments )
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