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Compound Detail

CHEMBL220866

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N#Cc1cccc(NC(=O)NCCC[C@@H]2C[C@H](Cc3ccccc3)CCN2)c1

Basic Information

ChEMBL ID CHEMBL220866
Phase Preclinical
Structure Type MOL
InChI Key FFTNCZSASXDDKK-PZJWPPBQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

376.5
MW (Da)
4.07
ALogP
3
HBA
3
HBD
77.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28N4O
MW 376.50
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.73

Activity Summary

IC50 1 meas. best 6.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
C-C chemokine receptor type 3
CHEMBL3473
IC50 6.41 6.41 386.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
C-C chemokine receptor type 3 IC50 = 386.0 nM 6.41 Binding affinity to CCR3 16931001

Literature References

PubMed DOI Target Context # Activities
16931001 10.1016/j.bmcl.2006.08.012 C-C chemokine receptor type 3 1

Data from ChEMBL 36 via Core Engine