Compound Detail
CHEMBL4162930
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
N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)NCC2(c3ccc(F)c(Cl)c3)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL4162930 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIRJUPFMKLVNMO-DEOSSOPVSA-N |
3
Targets
6
Activities
1
Assay Types
3
PK Parameters
9
Publications
0
Known Names
Molecular Properties
509.0
MW (Da)
5.07
ALogP
3
HBA
3
HBD
94.0
PSA (Ų)
0.40
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-formyl peptide receptor 2 CHEMBL4227 | EC50 | 6.72 | 5.8467 | 190.0 | 3 |
| Unchecked CHEMBL612545 | EC50 | 5.49 | 5.49 | 3260.0 | 1 |
| fMet-Leu-Phe receptor CHEMBL3359 | EC50 | 5.28 | 5.28 | 5200.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 14.4 | mL.min-1.g-1 | Rattus norvegicus |
| T1/2 | 0.8 | hr | Rattus norvegicus |
| T1/2 | 0.8 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-formyl peptide receptor 2 | EC50 | = | 190.0 | nM | 6.72 | Agonist activity at FPR2 in human neutrophils assessed as induction of calcium m... | 29102463 |
| Unchecked | EC50 | = | 3260.0 | nM | 5.49 | Cytotoxicity against mouse N9 cells assessed as reduction in cell viability incu... | 35257581 |
| N-formyl peptide receptor 2 | EC50 | = | 3900.0 | nM | 5.41 | Agonist activity at human FPR2 expressed in human HL60 cells assessed as inducti... | 29102463 |
| N-formyl peptide receptor 2 | EC50 | = | 3900.0 | nM | 5.41 | Agonist activity at human FPR2 expressed in HL-60 cells assessed as increase in ... | 38199163 |
| fMet-Leu-Phe receptor | EC50 | = | 5200.0 | nM | 5.28 | Agonist activity at human FPR1 expressed in human HL60 cells assessed as inducti... | 29102463 |
| fMet-Leu-Phe receptor | EC50 | = | 5200.0 | nM | 5.28 | Agonist activity at human FPR1 expressed in HL-60 cells assessed as increase in ... | 38199163 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29102463 | 10.1016/j.ejmech.2017.09.023 | Microglia | 19 |
| 29102463 | 10.1016/j.ejmech.2017.09.023 | N-formyl peptide receptor 2 | 4 |
| 29102463 | 10.1016/j.ejmech.2017.09.023 | ADMET | 3 |
| 29102463 | 10.1016/j.ejmech.2017.09.023 | Unchecked | 3 |
| 35257581 | 10.1021/acs.jmedchem.1c02203 | Unchecked | 3 |
| 38199163 | 10.1016/j.ejmech.2023.115989 | ADMET | 3 |
| 29102463 | 10.1016/j.ejmech.2017.09.023 | fMet-Leu-Phe receptor | 2 |
| 38199163 | 10.1016/j.ejmech.2023.115989 | fMet-Leu-Phe receptor | 1 |
| 38199163 | 10.1016/j.ejmech.2023.115989 | N-formyl peptide receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine