Chemical Probes logo
SAFit2 | SAFit2 : Antagonist of FKBP5
RATINGS:
Cellular Use: (0 reviews)

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

Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
FKBP5
  • Kd:6 ± 2 nM
  • IC50:195.5 ± 14 nM
  • IC50:IC50 = 493 ± 101 nM
Antagonist
up to 5 µM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
Selectivity within target family: Competitive fluorescence polarization assay: FKBP1B (Kd = 38.9 ± ...
In Cell Selectivity Assessment
Potency Assay Off-Target:
NanoBRET assay (HEK293T cell line FKBP51-NLuc): FKBP1A (IC50 = 1103 ± 86 nM)

Potency
Cellular
In Vitro

FKBP5

Mode of Action: Antagonist

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1021/acs.jmedchem.5b01355

In Vivo Validations

Mouse
Dose: 10 mg/Kg
Route of delivery: Intraperitoneal
Plasma half life: 9.2 h
Cmax: 2094.8 ng/ml
Tmax: 0.3 h
Area Under the Curve:: 7117.0 h*ng/ml
Target engagement assay: Brain:plasma ratio: 16.7%

DOI Reference: 10.1038/nchembio.1699

Negative Control Compounds

ddSAFit2
Notes: ddSAFit2: Kd > 20 μM (FP assay)
SMILES: COc1ccc(CC[C@H](c2cccc(c2)OCCN2CCOCC2)OC([C@H]2CCCCN2C([C@H](C2CCCCC2)c2cc(c(c(c2)OC)OC)OC)=O)=O)cc1OC

Chemical Information

Molecular Formula C46H62N2O10
SMILEs COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](c2cc(OC)c(OC)c(OC)c2)C2CCCCC2)c2cccc(OCCN3CCOCC3)c2)cc1OC
InChI InChI=1S/C46H62N2O10/c1-51-39-20-18-32(28-40(39)52-2)17-19-38(34-14-11-15-36(29-34)57-27-24-47-22-25-56-26-23-47)58-46(50)37-16-9-10-21-48(37)45(49)43(33-12-7-6-8-13-33)35-30-41(53-3)44(55-5)42(31-35)54-4/h11,14-15,18,20,28-31,33,37-38,43H,6-10,12-13,16-17,19,21-27H2,1-5H3/t37-,38+,43-/m0/s1
Molecular weight 802.44 Da
AlogP 7.4029
HBond acceptors 12
HBond donors --
Atoms 120

Vendors

Note: This is not an exhaustive list and does not indicate endorsement by the portal.

Expert Reviews

No SERP comments found for SAFit2

Probe SAFit2 is in the process of SERP review.

Please continue to check back for new reviews and commentary.