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Relacatib | Inhibitor of CTSK, CTSL, CTSV
RATINGS:
Cellular Use: (3 reviews)

In Model Organisms: (3 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
CTSK
  • Ki:0.041 nM
  • IC50:22 nM; 45 nM; ~70 nM
CTSL
  • Ki:0.068 nM
  • IC50:22 nM; 45 nM; ~70 nM
CTSV
  • Ki:0.053 nM
  • IC50:22 nM; 45 nM; ~70 nM
Inhibitor
up to 1 uM
up to 500 nM

Selectivity

In Vitro Selectivity Assessment

Potency: Ki - CTSS 1.6 nM, CTSB 13 nM

Selectivity Assessment Description:
Exhibits 39–300-fold selectivity over other cathepsins.

Potency
Cellular
In Vitro

CTSK

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1021/jm050915u

CTSL

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1021/jm050915u

CTSV

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1021/jm050915u

In Vivo Validations

Rat, Cynomolgus
Dose: 1-2 (IV), 2-4 (PO) mg/Kg, Reviewer Suggest 3-30 mg/Kg
Route of delivery: Intravenous, Oral
Plasma half life: 109 (R), 168 (M) min
Systemic clearance: 19.5 (R), 11.7 (M) mL/min/kg

DOI Reference: 10.1021/jm050915u

Chemical Information

Molecular Formula C27H32N4O6S
SMILEs CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(S(=O)(=O)c2ccccn2)CC1=O
InChI InChI=1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-10,13,15,17-18,20-21H,11-12,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21+/m1/s1
Molecular weight 540.20 Da
AlogP 2.8994
HBond acceptors 10
HBond donors 2
Atoms 70

References

Publications

Cross References

canSARChEMBLBindingDB

Vendors

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Expert Reviews

by SERP
(on 16 Nov 2020 )
Cellular Use Rating
In Model Organisms
This is an excellent probe. Rated 3* (rather than 4*) because it acts on more than one target.
by SERP
(on 3 Dec 2020 )
Cellular Use Rating
In Model Organisms
( The reviewer did not leave any comments )
by SERP
(on 14 Dec 2020 )
Cellular Use Rating
In Model Organisms
( The reviewer did not leave any comments )
Note: The Chemical Probes Portal only endorses compounds as chemical probes for use as specific and selective modulators of the proposed target if they receive three or more (3-4) stars. Read more about our evaluation criteria