Compound Detail
CHEMBL1615001
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Basic Information
| ChEMBL ID | CHEMBL1615001 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKVYYPQMGSVOHB-LBPRGKRZSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
297.7
MW (Da)
1.93
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.31
EC50 1 meas. best 4.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.31 | 6.31 | 490.0 | 1 |
| Transcriptional activator protein LasR CHEMBL1075207 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.48 | 4.48 | 33000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 490.0 | nM | 6.31 | Inhibition of LasR in Escherichia coli JLD271 harboring pSC11/pJN105L using CPRG... | 31918952 |
| Transcriptional activator protein LasR | IC50 | = | 21000.0 | nM | 4.68 | Inhibition of LasR in Pseudomonas aeruginosa PAO-JP2 harboring plasI-LVAgfp incu... | 31918952 |
| Unchecked | EC50 | = | 33000.0 | nM | 4.48 | Activation of LasR in Escherichia coli JLD271 harboring pSC11/pJN105L using CPRG... | 31918952 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31918952 | 10.1016/j.bmc.2019.115282 | Unchecked | 2 |
| 31918952 | 10.1016/j.bmc.2019.115282 | Transcriptional activator protein LasR | 1 |
Data from ChEMBL 36 via Core Engine