Compound Detail
CHEMBL3142717
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CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NC(C=O)CCC(=O)N(C)C
Basic Information
| ChEMBL ID | CHEMBL3142717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPAIWJUVOVJPDO-RRLUTRQMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
-1.93
ALogP
6
HBA
4
HBD
153.8
PSA (Ų)
0.29
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human rhinovirus sp. CHEMBL612470 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human rhinovirus sp. | IC50 | = | 340.0 | nM | 6.47 | Antiviral activity against human rhinovirus-14 in HeLa cells | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00537-9 | Human rhinovirus sp. | 1 |
Data from ChEMBL 36 via Core Engine