Compound Detail
CHEMBL5949823
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
COc1c(-c2ccccc2CO)ccc(N2CC[C@@H](NC(=O)Nc3ccc(C(F)(F)F)cc3F)C2=O)c1F
Basic Information
| ChEMBL ID | CHEMBL5949823 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFUYQDNZMUXBRY-HXUWFJFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
535.5
MW (Da)
5.08
ALogP
4
HBA
3
HBD
90.9
PSA (Ų)
0.38
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-formyl peptide receptor 2 CHEMBL4227 | EC50 | 8.07 | 8.07 | 8.6 | 1 |
| fMet-Leu-Phe receptor CHEMBL3359 | EC50 | 7.28 | 7.28 | 52.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-formyl peptide receptor 2 | EC50 | = | 8.6 | nM | 8.07 | FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays: A mixture of forskol... | - |
| fMet-Leu-Phe receptor | EC50 | = | 52.0 | nM | 7.28 | FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays: A mixture of forskol... | - |
Data from ChEMBL 36 via Core Engine