Compound Detail
CHEMBL1823930
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Basic Information
| ChEMBL ID | CHEMBL1823930 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBTLHSMHNIHVBP-QMMMGPOBSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
229.3
MW (Da)
0.89
ALogP
4
HBA
1
HBD
63.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.88
EC50 2 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.89 | 6.89 | 130.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.88 | 6.88 | 131.0 | 1 |
| Transcriptional activator protein TraR CHEMBL5865 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| Transcriptional activator protein LasR CHEMBL1075207 | EC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Transcriptional activator protein LasR CHEMBL1075207 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 130.0 | nM | 6.89 | Agonist activity at Escherichia coli DH5alpha (pJN105L + pSC11) LasR after 8 hrs... | 21798746 |
| Unchecked | IC50 | = | 131.0 | nM | 6.88 | Inhibition of autoinducer-stimulated quorum sensing regulated bioluminescence in... | 20669927 |
| Transcriptional activator protein TraR | IC50 | = | 3200.0 | nM | 5.5 | Antagonist activity at Agrobacterium tumefaciens WCF (pCF372) TraR assessed as i... | 21798746 |
| Transcriptional activator protein LasR | EC50 | = | 13000.0 | nM | 4.89 | Agonist activity at Pseudomonas aeruginosa PAO1 MW1 (pUM15) LasR after 8 hrs by ... | 21798746 |
| Transcriptional activator protein LasR | IC50 | = | 13000.0 | nM | 4.89 | Antagonist activity at Pseudomonas aeruginosa PAO1 MW1 (pUM15) LasR assessed as ... | 21798746 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21798746 | 10.1016/j.bmc.2011.06.071 | Unchecked | 4 |
| 21798746 | 10.1016/j.bmc.2011.06.071 | Transcriptional activator protein LasR | 4 |
| 21798746 | 10.1016/j.bmc.2011.06.071 | Transcriptional activator protein TraR | 3 |
| 21798746 | 10.1016/j.bmc.2011.06.071 | Transcriptional activator protein LuxR | 2 |
| 21798746 | 10.1016/j.bmc.2011.06.071 | Pseudomonas aeruginosa | 1 |
| 21798746 | 10.1016/j.bmc.2011.06.071 | Escherichia coli | 1 |
| 21798746 | 10.1016/j.bmc.2011.06.071 | Aliivibrio fischeri | 1 |
| 21798746 | 10.1016/j.bmc.2011.06.071 | Agrobacterium tumefaciens | 1 |
| 20669927 | 10.1021/jm901742e | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine