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ML5 | ML5 : Antagonist of S1PR1
RATINGS:
Cellular Use: (0 reviews)

In Model Organisms: (0 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
S1PR1
  • Ki:77 nM
  • Ki:18 nM
Antagonist
up to 10 uM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
Selectivity within target family: Antagonistic effect of W146 was selective for S1P1 receptors, and ...

Potency
Cellular
In Vitro

S1PR1

Mode of Action: Antagonist

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1038/nchembio804

In Vivo Validations

Rat
Dose: 1 mg/Kg
Route of delivery: Intravenous
Plasma half life: 73 ± 3 min
Systemic clearance: 4.63 ml/min/kg
Volume of Distribution at Steady-State: 0.46 L/Kg

DOI Reference: 10.1038/nchembio804

Negative Control Compounds

CANSAR1421688
Notes: W140 (cpd 2b) Ki 4.6 μM

Chemical Information

Molecular Formula C16H27N2O4P
SMILEs CCCCCCc1cccc(NC(=O)[C@H](N)CCP(=O)(O)O)c1
InChI InChI=1S/C16H27N2O4P/c1-2-3-4-5-7-13-8-6-9-14(12-13)18-16(19)15(17)10-11-23(20,21)22/h6,8-9,12,15H,2-5,7,10-11,17H2,1H3,(H,18,19)(H2,20,21,22)/t15-/m1/s1
Molecular weight 342.17 Da
AlogP 2.6430000000000007
HBond acceptors 6
HBond donors 5
Atoms 50

References

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Expert Reviews

No SERP comments found for ML5

Probe ML5 is in the process of SERP review.

Please continue to check back for new reviews and commentary.