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MS8535 | MS8535 : Inhibitor of SPIN1
RATINGS:
Cellular Use: (2 reviews)

In Model Organisms: (2 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
SPIN1
  • Kd:30 ± 2 nM
  • IC50:202 ± 11 nM
  • EC50:1100 ± 300 nM
Inhibitor
up to 5 uM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
MS8535 showed very weak binding to G9a and GLP in ITC studies. Selectivity profile of MS8535 in a pa ...

Potency
Cellular
In Vitro

SPIN1

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1021/acs.jmedchem.4c00121

In Vivo Validations

Mouse
Dose: 5 mg/Kg
Route of delivery: Intraperitoneal

DOI Reference: 10.1021/acs.jmedchem.4c00121

Negative Control Compounds

MS8535N
Notes: MS8535N was not active in biochemical and cellular assays
SMILES: COC1=CC(C(N2CCCC2)=NC(NCCN(C)C)=N3)=C3C=C1OCCCN4C(C(C=CC=C5)=C5C4=O)=O

Chemical Information

Molecular Formula C28H38N6O2
SMILEs COc1cc2c(N3CCCC3)nc(NCCN(C)C)nc2cc1OCCCN1Cc2ccccc2C1
InChI InChI=1S/C28H38N6O2/c1-32(2)15-11-29-28-30-24-18-26(25(35-3)17-23(24)27(31-28)34-13-6-7-14-34)36-16-8-12-33-19-21-9-4-5-10-22(21)20-33/h4-5,9-10,17-18H,6-8,11-16,19-20H2,1-3H3,(H,29,30,31)
Molecular weight 490.31 Da
AlogP 3.996800000000003
HBond acceptors 8
HBond donors 1
Atoms 74

Expert Reviews

by SERP
(on 3 Jun 2024)
Cellular Use Rating
In Model Organisms
There is no PK data reported for this compound, only a total concentration vs time graph for mouse IP administration. Without any fraction unbound data and PK parameters, it is impossible to know what...
by SERP
(on 17 Jun 2024)
Cellular Use Rating
In Model Organisms
This is an interesting new compound that inhibits SPIN1 with potency and selectivity in a limited panel of epigenetic targets. Before its wide application as a chemical probe, it would be desirable to...
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