Compound Detail
CHEMBL265056
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CCC(CC)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL265056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEQGGKWHVHARDC-BLKABHOGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
610.8
MW (Da)
0.04
ALogP
7
HBA
6
HBD
217.1
PSA (Ų)
0.13
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.11 | 4.11 | 77000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 77000.0 | nM | 4.11 | Inhibition of Herpes simplex virus type 1 ribonucleotide reductase | 8411018 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8411018 | 10.1021/jm00072a021 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine