Compound Detail
CHEMBL4578459
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Oc1ccc(CCn2cc(-c3ccc(-c4cn(CCc5ccc(O)c(Br)c5)nn4)cc3)nn2)cc1Br
Basic Information
| ChEMBL ID | CHEMBL4578459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWFLJPOTAJONAH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
610.3
MW (Da)
5.63
ALogP
8
HBA
2
HBD
101.9
PSA (Ų)
0.24
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pseudoalteromonas ulvae CHEMBL4296595 | EC50 | 4.39 | 4.39 | 40900.0 | 1 |
| Paracoccus sp. CHEMBL4513215 | EC50 | 4.22 | 4.22 | 59900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pseudoalteromonas ulvae | EC50 | = | 40900.0 | nM | 4.39 | Anti-biofilm activity against Pseudoalteromonas ulvae TC14 assessed as inhibitio... | 30600205 |
| Paracoccus sp. | EC50 | = | 59900.0 | nM | 4.22 | Anti-biofilm activity against Paracoccus sp. 4M6 assessed as inhibition of bacte... | 30600205 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30600205 | 10.1016/j.bmcl.2018.12.047 | Pseudoalteromonas ulvae | 2 |
| 30600205 | 10.1016/j.bmcl.2018.12.047 | Pseudoalteromonas lipolytica | 2 |
| 30600205 | 10.1016/j.bmcl.2018.12.047 | Paracoccus sp. | 2 |
Data from ChEMBL 36 via Core Engine