Compound Detail
CHEMBL4755451
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Cc1ccc2c(c1)C(=O)N1CCCCC1c1cc3nc(N4CCC4)cc(n3n1)N(C)CCNC(=O)CO2
Basic Information
| ChEMBL ID | CHEMBL4755451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLKRASBCVFNFJD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
2.56
ALogP
8
HBA
1
HBD
95.3
PSA (Ų)
0.55
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fusion glycoprotein F0 CHEMBL3856166 | EC50 | 9.19 | 9.19 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fusion glycoprotein F0 | EC50 | = | 0.64 | nM | 9.19 | Inhibition of F protein in Respiratory syncytial virus A2 infected in HepG2 cell... | 33190073 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33190073 | 10.1016/j.bmc.2020.115818 | ADMET | 2 |
| 33190073 | 10.1016/j.bmc.2020.115818 | Fusion glycoprotein F0 | 1 |
| 33190073 | 10.1016/j.bmc.2020.115818 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine