Compound Detail
CHEMBL403715
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Basic Information
| ChEMBL ID | CHEMBL403715 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSHDAMLQPKTCBM-MFYTUXHUSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
-0.95
ALogP
8
HBA
3
HBD
109.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| HFF CHEMBL614071 | IC50 | 4.34 | 4.34 | 46000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | IC50 | = | 10000.0 | nM | 5.0 | Inhibitory concentration against human cytomegalovirus (HCMV) in plaque reductio... | 2846837 |
| HFF | IC50 | = | 46000.0 | nM | 4.34 | Cytotoxicity against uninfected human foreskin fibroblast(HFF cells) | 2846837 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24397620 | 10.1021/jm4018948 | Pseudomonas aeruginosa | 2 |
| 24397620 | 10.1021/jm4018948 | Escherichia coli | 2 |
| 24397620 | 10.1021/jm4018948 | Staphylococcus aureus | 2 |
| 24397620 | 10.1021/jm4018948 | Hepatitis C virus | 2 |
| 24397620 | 10.1021/jm4018948 | Huh-7 | 2 |
| 24397620 | 10.1021/jm4018948 | NON-PROTEIN TARGET | 2 |
| 24397620 | 10.1021/jm4018948 | HCT-116 | 2 |
| 24397620 | 10.1021/jm4018948 | K562 | 2 |
| 24397620 | 10.1021/jm4018948 | HepG2 | 1 |
| 24397620 | 10.1021/jm4018948 | Candida tropicalis | 1 |
| 24397620 | 10.1021/jm4018948 | BJ | 1 |
| 24397620 | 10.1021/jm4018948 | Staphylococcus haemolyticus | 1 |
| 24397620 | 10.1021/jm4018948 | Mycobacterium tuberculosis | 1 |
| 24397620 | 10.1021/jm4018948 | CCRF-CEM | 1 |
| 24397620 | 10.1021/jm4018948 | A549 | 1 |
| 2846837 | 10.1021/jm00119a006 | Human betaherpesvirus 5 | 1 |
| 24397620 | 10.1021/jm4018948 | HL-60 | 1 |
| 24397620 | 10.1021/jm4018948 | Enterococcus faecalis | 1 |
| 18289860 | 10.1016/j.bmc.2008.01.044 | Equilibrative nucleoside transporter 1 | 1 |
| 2846837 | 10.1021/jm00119a006 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine