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

CHEMBL4557554

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
O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(Cl)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4557554
Phase Preclinical
Structure Type MOL
InChI Key IIJWGWHORFYKGB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

464.3
MW (Da)
6.28
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H14Cl2F3N3O
MW 464.27
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -2.03

Activity Summary

IC50 1 meas. best 6.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
C-C chemokine receptor type 1
CHEMBL2413
 IC50 6.58 6.58 260.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
C-C chemokine receptor type 1 IC50 = 260.0 nM 6.58 Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adhere... 30595446

Literature References

PubMed DOI Target Context # Activities
30595446 10.1016/j.bmcl.2018.12.024 C-C chemokine receptor type 1 1

Data from ChEMBL 36 via Core Engine