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Compound Detail

CHEMBL430214

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CC1CCN(c2cc(C#CCN(C)S(C)(=O)=O)ccc2NC(=O)c2ccc(C#N)o2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL430214
Phase Preclinical
Structure Type MOL
InChI Key GOCXYFFOSGSRSB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

454.6
MW (Da)
2.88
ALogP
6
HBA
1
HBD
106.7
PSA (Ų)
0.70
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 C23H26N4O4S
MW 454.55
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.64

Activity Summary

IC50 1 meas. best 7.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
 IC50 7.8 7.8 16.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Macrophage colony-stimulating factor 1 receptor IC50 = 16.0 nM 7.8 Inhibition of FMS 18495479

Literature References

PubMed DOI Target Context # Activities
18495479 10.1016/j.bmcl.2008.04.059 Macrophage colony-stimulating factor 1 receptor 1

Data from ChEMBL 36 via Core Engine