Compound Detail
CHEMBL334434
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Basic Information
| ChEMBL ID | CHEMBL334434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CADZAYUQNRSRCO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
319.7
MW (Da)
-0.55
ALogP
7
HBA
3
HBD
153.3
PSA (Ų)
0.25
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Duck hepatitis B virus CHEMBL613761 | EC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Human alphaherpesvirus 3 CHEMBL613132 | EC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Duck hepatitis B virus | EC50 | = | 1300.0 | nM | 5.89 | In vitro antiviral activity against duck hepatitis B virus (DHBV) | 11708924 |
| Human alphaherpesvirus 3 | EC50 | = | 2400.0 | nM | 5.62 | In vitro antiviral activity against Varicella zoster virus | 11708924 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11708924 | 10.1021/jm010227k | ADMET | 2 |
| 17218105 | 10.1016/j.bmc.2006.12.032 | Mycobacterium tuberculosis | 2 |
| 11708924 | 10.1021/jm010227k | Human alphaherpesvirus 3 | 1 |
| 11708924 | 10.1021/jm010227k | Duck hepatitis B virus | 1 |
| 11708924 | 10.1021/jm010227k | Vero | 1 |
| 17218105 | 10.1016/j.bmc.2006.12.032 | Mycobacterium avium | 1 |
| 17218105 | 10.1016/j.bmc.2006.12.032 | Staphylococcus aureus | 1 |
| 17218105 | 10.1016/j.bmc.2006.12.032 | Staphylococcus epidermidis | 1 |
| 17218105 | 10.1016/j.bmc.2006.12.032 | Enterococcus faecalis | 1 |
| 17218105 | 10.1016/j.bmc.2006.12.032 | Bacillus subtilis | 1 |
| 17218105 | 10.1016/j.bmc.2006.12.032 | Streptococcus pneumoniae | 1 |
| 17218105 | 10.1016/j.bmc.2006.12.032 | Salmonella typhimurium | 1 |
| 17218105 | 10.1016/j.bmc.2006.12.032 | Escherichia coli | 1 |
| 17218105 | 10.1016/j.bmc.2006.12.032 | Proteus vulgaris | 1 |
| 17218105 | 10.1016/j.bmc.2006.12.032 | Pseudomonas aeruginosa | 1 |
Data from ChEMBL 36 via Core Engine