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

CHEMBL4552554

PF-04475866
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(c1ccc(F)cc1)N1CC(COc2ccc(Br)cc2)(C(=O)O)C1

Basic Information

ChEMBL ID CHEMBL4552554
Name PF-04475866
Phase Preclinical
Structure Type MOL
InChI Key KBYIQQODUSXDFL-UHFFFAOYSA-N
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

408.2
MW (Da)
3.19
ALogP
3
HBA
1
HBD
66.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15BrFNO4
MW 408.22
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.82

Activity Summary

Ki 4 meas. best 5.0
IC50 2 meas. best 5.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostaglandin E2 receptor EP2 subtype
CHEMBL1881
IC50 5.89 5.89 1300.0 2
D(1A) dopamine receptor
CHEMBL2056
Ki 5.0 5.0 10000.0 2
Histamine H4 receptor
CHEMBL3759
Ki 5.0 5.0 10000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5674860 Colon cancer organoid 12
- 10.6019/CHEMBL5724558 Colon cancer organoid 12
- 10.6019/CHEMBL4689842 HEK-293T 10
- 10.6019/CHEMBL4689842 U2OS 8
- 10.6019/CHEMBL5608141 Colon cancer organoid 6
- 10.6019/CHEMBL4689842 Fibroblast 5
- 10.1158/2159-8290.CD-23-0050 Colon cancer organoid 5
- 10.6019/CHEMBL4507298 Histamine H4 receptor 3
- 10.6019/CHEMBL4507298 D(1A) dopamine receptor 3
- 10.6019/CHEMBL4507298 GABA-A receptor; anion channel 2
- 10.6019/CHEMBL4507298 5-hydroxytryptamine receptor 1D 1
- 10.6019/CHEMBL4507298 5-hydroxytryptamine receptor 6 1
- 10.6019/CHEMBL4507298 5-hydroxytryptamine receptor 7 1
- 10.6019/CHEMBL4507298 Beta-2 adrenergic receptor 1
- 10.6019/CHEMBL4507298 D(2) dopamine receptor 1
- 10.6019/CHEMBL4507298 Delta-type opioid receptor 1
- 10.6019/CHEMBL4507298 5-hydroxytryptamine receptor 1B 1
- 10.6019/CHEMBL4507298 Beta-1 adrenergic receptor 1
- 10.6019/CHEMBL4507298 Muscarinic acetylcholine receptor M5 1
- 10.6019/CHEMBL4507298 Unchecked 1

Data from ChEMBL 36 via Core Engine