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

CHEMBL480667

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
CCOC(=O)c1c(NCCc2ccccn2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL480667
Phase Preclinical
Structure Type MOL
InChI Key XSMJAVZBPOPBJN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

472.6
MW (Da)
4.58
ALogP
8
HBA
1
HBD
78.2
PSA (Ų)
0.30
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24N4O3S
MW 472.57
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.19

Activity Summary

IC50 1 meas. best 9.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neutrophil
CHEMBL613710
 IC50 9.31 9.31 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neutrophil IC50 = 0.49 nM 9.31 Inhibition of chemotaxis in human neutrophils assessed as inhibition of IL8-indu... 19394230

Literature References

PubMed DOI Target Context # Activities
19394230 10.1016/j.bmc.2009.04.006 Neutrophil 3
19394230 10.1016/j.bmc.2009.04.006 C-X-C chemokine receptor type 1 1
19394230 10.1016/j.bmc.2009.04.006 ADMET 1
19394230 10.1016/j.bmc.2009.04.006 C-X-C chemokine receptor type 2 1

Data from ChEMBL 36 via Core Engine