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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

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