Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL250774

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CS(=O)(=O)c1ccc(-c2ccc3c(Nc4ccc(F)cc4)c(C(N)=O)cnc3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL250774
Phase Preclinical
Structure Type MOL
InChI Key RTWBLNOSOIEHFD-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names

Molecular Properties

435.5
MW (Da)
4.29
ALogP
5
HBA
2
HBD
102.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18FN3O3S
MW 435.48
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.43

Activity Summary

IC50 3 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
 IC50 6.8 6.8 160.0 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 6.4 6.4 400.0 1
NSO
CHEMBL615003
 IC50 5.0 5.0 10000.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 4.5 mL.min-1.kg-1 Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Macrophage colony-stimulating factor 1 receptor IC50 = 160.0 nM 6.8 Inhibition of cfms 17870531
NON-PROTEIN TARGET IC50 = 400.0 nM 6.4 Growth inhibition of MCSF expressing mouse M-NSF60 cells 17870531
NSO IC50 = 10000.0 nM 5.0 Growth inhibition of MCSF-independent mouse NSO cells 17870531

Literature References

PubMed DOI Target Context # Activities
17870531 10.1016/j.bmcl.2007.09.009 Macrophage colony-stimulating factor 1 receptor 1
17870531 10.1016/j.bmcl.2007.09.009 NON-PROTEIN TARGET 1
17870531 10.1016/j.bmcl.2007.09.009 NSO 1
17870531 10.1016/j.bmcl.2007.09.009 Rattus norvegicus 1
- 10.6019/CHEMBL3301361 ADMET 1

Data from ChEMBL 36 via Core Engine