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BI-639667 | BI 639667: Antagonist of CCR1
RATINGS:
Cellular Use: (1 reviews)

In Model Organisms: (1 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
CCR1
  • IC50:5.4 nM
  • IC50:24 nM
  • IC50:2.4 nM
  • IC50:9 nM
Antagonist
100 nM

Selectivity

In Vitro Selectivity Assessment
Selectivity Assessment Description:
Selectivity within target family: Selectivity over other measured CCRs >1,000-fold. In Cerep panel o ...

Potency
Cellular
In Vitro

CCR1

Mode of Action: Antagonist

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1016/j.bmcl.2018.12.024

In Vivo Validations

Rat
Dose:
Plasma half life: 1.9 h
Systemic clearance: 13% QH
Bioavailability: 10%
Volume of Distribution at Steady-State: 1.1 L/Kg

DOI Reference: 10.1016/j.bmcl.2018.12.024

Dog
Dose:
Plasma half life: 6.9 h
Systemic clearance: 5.8% QH
Bioavailability: 29%
Volume of Distribution at Steady-State: 0.7 L/Kg

DOI Reference: 10.1016/j.bmcl.2018.12.024

Monkey (Cynomolgus)
Dose:
Plasma half life: 4.4 h
Systemic clearance: 17% QH
Bioavailability: 35%
Volume of Distribution at Steady-State: 1.9 L/Kg

DOI Reference: 10.1016/j.bmcl.2018.12.024

Negative Control Compounds

BI 9307
Notes: CCR1 (Ca2+ flux) >3000 nM; Clean GPCR scan

Chemical Information

Molecular Formula C22H18FN5O3S
SMILEs CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1
InChI InChI=1S/C22H18FN5O3S/c1-32(30,31)20-10-14(6-9-25-20)22(7-8-22)27-21(29)18-11-24-13-19-17(18)12-26-28(19)16-4-2-15(23)3-5-16/h2-6,9-13H,7-8H2,1H3,(H,27,29)
Molecular weight 451.11 Da
AlogP 2.7772000000000006
HBond acceptors 8
HBond donors 1
Atoms 50

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Expert Reviews

by SERP
(on 15 Feb 2022)
Cellular Use Rating
In Model Organisms
(The reviewer did not leave any public comments)
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