Compound Detail
CHEMBL3728297
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COc1ccc(NC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL3728297 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALJNZUKHKCFYOY-KAOXLYBCSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
437.6
MW (Da)
3.45
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-formyl peptide receptor 2 CHEMBL4227 | EC50 | 8.7 | 8.375 | 2.0 | 2 |
| N-formyl peptide receptor 3 CHEMBL5646 | EC50 | 6.69 | 6.67 | 204.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-formyl peptide receptor 2 | EC50 | = | 2.0 | nM | 8.7 | Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-... | - |
| N-formyl peptide receptor 2 | EC50 | = | 9.0 | nM | 8.05 | Agonist activity at human recombinant ALX receptor expressed in HEK293 cells co-... | - |
| N-formyl peptide receptor 3 | EC50 | = | 204.0 | nM | 6.69 | Agonist activity at human recombinant FPRL2 receptor expressed in HEK293 cells c... | - |
| N-formyl peptide receptor 3 | EC50 | = | 224.0 | nM | 6.65 | Agonist activity at human recombinant FPRL2 receptor expressed in HEK293 cells c... | - |
Data from ChEMBL 36 via Core Engine