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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

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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

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 public comments)
by SERP
(on 14 Dec 2020)
Cellular Use Rating
In Model Organisms
(The reviewer did not leave any public 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