Compound Detail
CHEMBL336783
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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)C(C)(C)C)C1(C(=O)O)CCCC1)C(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL336783 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BICMJCLCIQRONK-ZVZMXPSCSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
705.0
MW (Da)
6.18
ALogP
6
HBA
5
HBD
170.8
PSA (Ų)
0.14
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BHK-21 CHEMBL614527 | EC50 | 5.22 | 5.19 | 6000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BHK-21 | EC50 | = | 6000.0 | nM | 5.22 | Effective concentration was evaluated against HSV-1 by using serum starved baby ... | 8863795 |
| BHK-21 | EC50 | = | 7000.0 | nM | 5.16 | 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