Compound Detail
CHEMBL132114
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CC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)N[C@@H]1[C@H](C)CCC[C@@H]1C)C(C)(C)C)CC(=O)N1CCCC1)C1(C(=O)O)CCCC1)C(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL132114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRRAZDSNEPCABY-ZSJUMTJQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
718.0
MW (Da)
5.18
ALogP
6
HBA
5
HBD
174.0
PSA (Ų)
0.16
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BHK-21 CHEMBL614527 | EC50 | 4.3 | 4.2 | 50000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BHK-21 | EC50 | = | 50000.0 | nM | 4.3 | Effective concentration was evaluated against HSV-1 by using serum starved baby ... | 8863795 |
| BHK-21 | EC50 | = | 80000.0 | nM | 4.1 | Effective concentration was evaluated against HSV-2 by using serum starved baby ... | 8863795 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8863795 | 10.1021/jm960324r | BHK-21 | 2 |
Data from ChEMBL 36 via Core Engine