Compound Detail
CHEMBL4641936
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CCOC(=O)/C=C/[C@H](CC1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Basic Information
| ChEMBL ID | CHEMBL4641936 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMEUCWDOSVXQPQ-ZSWAXZAJSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
611.6
MW (Da)
2.59
ALogP
9
HBA
3
HBD
161.6
PSA (Ų)
0.21
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| rhinovirus B14 CHEMBL613759 | EC50 | 7.96 | 7.96 | 11.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.4 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| rhinovirus B14 | EC50 | = | 11.0 | nM | 7.96 | Antiviral activity against Human rhinovirus 14 infected in HeLa H! cells after 2... | 32031378 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32031378 | 10.1021/acs.jmedchem.9b01617 | ADMET | 2 |
| 32031378 | 10.1021/acs.jmedchem.9b01617 | rhinovirus B14 | 1 |
| 32031378 | 10.1021/acs.jmedchem.9b01617 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine