Compound Detail
CHEMBL4166447
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O=C(Nc1ccc(F)cc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC1(c2ccccc2)CC1
Basic Information
| ChEMBL ID | CHEMBL4166447 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTDGCYVVERQPLM-VWLOTQADSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
470.6
MW (Da)
4.89
ALogP
2
HBA
4
HBD
86.0
PSA (Ų)
0.30
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-formyl peptide receptor 2 CHEMBL4227 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
| fMet-Leu-Phe receptor CHEMBL3359 | EC50 | 4.73 | 4.73 | 18800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-formyl peptide receptor 2 | EC50 | = | 2000.0 | nM | 5.7 | Agonist activity at human FPR2 expressed in human HL60 cells assessed as inducti... | 29102463 |
| fMet-Leu-Phe receptor | EC50 | = | 18800.0 | nM | 4.73 | Agonist activity at human FPR1 expressed in human HL60 cells assessed as inducti... | 29102463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29102463 | 10.1016/j.ejmech.2017.09.023 | N-formyl peptide receptor 2 | 4 |
| 29102463 | 10.1016/j.ejmech.2017.09.023 | fMet-Leu-Phe receptor | 2 |
| 29102463 | 10.1016/j.ejmech.2017.09.023 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine