Chemical Probes logo
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
Download

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...
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