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

CHEMBL488640

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
COc1cc2nc(N3CCC(N(C)C)CC3)nc(NC3CCCCCC3)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL488640
Phase Preclinical
Structure Type MOL
InChI Key XWMACLNQDPPMDY-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.6
MW (Da)
4.31
ALogP
7
HBA
1
HBD
62.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H37N5O2
MW 427.59
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.03

Activity Summary

IC50 2 meas. best 6.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
C-C chemokine receptor type 4
CHEMBL2414
 IC50 6.58 6.36 260.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
C-C chemokine receptor type 4 IC50 = 260.0 nM 6.58 Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells by [... 18539035
C-C chemokine receptor type 4 IC50 = 730.0 nM 6.14 Displacement of [125I]CCl22 from human CCR4 receptor expressed in mouse B300-19 ... 18539035

Literature References

PubMed DOI Target Context # Activities
18539035 10.1016/j.bmc.2008.05.036 C-C chemokine receptor type 4 4

Data from ChEMBL 36 via Core Engine