Compound Detail
CHEMBL3741894
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Basic Information
| ChEMBL ID | CHEMBL3741894 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUAGBVLGSOMTNI-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
431.3
MW (Da)
2.78
ALogP
6
HBA
2
HBD
89.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pseudoalteromonas ulvae CHEMBL4296595 | EC50 | 4.4 | 4.4 | 40000.0 | 1 |
| Paracoccus sp. CHEMBL4513215 | EC50 | 4.01 | 4.01 | 97300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pseudoalteromonas ulvae | EC50 | = | 40000.0 | nM | 4.4 | Antibiofilm activity against Pseudoalteromonas ulvae TC14 assessed as reduction ... | 26564265 |
| Paracoccus sp. | EC50 | = | 97300.0 | nM | 4.01 | Antibiofilm activity against Paracoccus sp. 4M6 assessed as reduction in adhesio... | 26564265 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26564265 | 10.1016/j.bmcl.2015.10.073 | ADMET | 5 |
| 26564265 | 10.1016/j.bmcl.2015.10.073 | Pseudoalteromonas lipolytica | 2 |
| 26564265 | 10.1016/j.bmcl.2015.10.073 | Pseudoalteromonas ulvae | 2 |
| 26564265 | 10.1016/j.bmcl.2015.10.073 | Paracoccus sp. | 2 |
Data from ChEMBL 36 via Core Engine