Compound Detail
CHEMBL4640616
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Cc1ccc2c(c1)C(=O)N1CCCC[C@H]1c1cc3nc(N4CC[C@H](N)C4)cc(n3n1)N(C)CCCCO2
Basic Information
| ChEMBL ID | CHEMBL4640616 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNKULGCYSCGYOZ-REWPJTCUSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
3.55
ALogP
8
HBA
1
HBD
92.2
PSA (Ų)
0.54
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fusion glycoprotein F0 CHEMBL2364165 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Fusion glycoprotein F0 CHEMBL3856166 | EC50 | 8.7 | 8.395 | 2.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fusion glycoprotein F0 | EC50 | = | 2.0 | nM | 8.7 | Inhibition of Human respiratory syncytial virus A2 Fusion protein expressed in H... | 32550994 |
| Fusion glycoprotein F0 | EC50 | = | 2.0 | nM | 8.7 | Inhibition of F protein in Respiratory syncytial virus A2 infected in HepG2 cell... | 33190073 |
| Fusion glycoprotein F0 | EC50 | = | 8.1 | nM | 8.09 | Inhibition of Human respiratory syncytial virus Fusion protein D486N mutant expr... | 32550994 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32550994 | 10.1021/acsmedchemlett.0c00008 | Fusion glycoprotein F0 | 2 |
| 33190073 | 10.1016/j.bmc.2020.115818 | Fusion glycoprotein F0 | 1 |
Data from ChEMBL 36 via Core Engine