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Compound Detail

CHEMBL124821

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COC(=O)c1cccc(NC(=O)Nc2cccc(OC)c2)c1CN1CCC(Cc2ccc(F)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL124821
Phase Preclinical
Structure Type MOL
InChI Key ICPQEPFVLYMWML-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

505.6
MW (Da)
5.72
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.38
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H32FN3O4
MW 505.59
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -1.26

Activity Summary

IC50 1 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
C-C chemokine receptor type 3
CHEMBL3473
 IC50 7.96 7.96 11.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
C-C chemokine receptor type 3 IC50 = 11.0 nM 7.96 Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) e... 12166951

Literature References

PubMed DOI Target Context # Activities
12166951 10.1021/jm0201767 C-C chemokine receptor type 3 1

Data from ChEMBL 36 via Core Engine