Compound Detail
CHEMBL2010868
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Basic Information
| ChEMBL ID | CHEMBL2010868 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YELLAPKUWRTITI-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
204.2
MW (Da)
1.95
ALogP
3
HBA
3
HBD
77.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.03
EC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B CHEMBL1904 | IC50 | 5.03 | 5.03 | 9400.0 | 1 |
| Glutamate receptor ionotropic, NMDA 2A CHEMBL1972 | IC50 | 5.01 | 5.01 | 9700.0 | 1 |
| Glutamate receptor ionotropic, NMDA 2D CHEMBL2591 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Glutamate receptor ionotropic, NMDA 2C CHEMBL4109 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Tyrosine-protein phosphatase YopH CHEMBL5835 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B | IC50 | = | 9400.0 | nM | 5.03 | Negative allosteric modulation of GluN2B receptor (unknown origin) expressed in ... | 29446949 |
| Glutamate receptor ionotropic, NMDA 2A | IC50 | = | 9700.0 | nM | 5.01 | Negative allosteric modulation of GluN2A receptor (unknown origin) expressed in ... | 29446949 |
| Glutamate receptor ionotropic, NMDA 2D | EC50 | = | 10000.0 | nM | 5.0 | Positive allosteric modulation of GluN2D receptor (unknown origin) expressed in ... | 29446949 |
| Glutamate receptor ionotropic, NMDA 2C | IC50 | = | 15000.0 | nM | 4.82 | Negative allosteric modulation of GluN2C receptor (unknown origin) expressed in ... | 29446949 |
| Tyrosine-protein phosphatase YopH | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of Yersinia pseudotuberculosis YopH | 22133902 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22133902 | 10.1016/j.bmc.2011.11.004 | Tyrosine-protein phosphatase YopH | 1 |
| 29547284 | 10.1021/acs.jmedchem.7b01622 | Unchecked | 1 |
| 29446949 | 10.1021/acs.jmedchem.7b01640 | Glutamate receptor ionotropic, NMDA 2D | 1 |
| 29446949 | 10.1021/acs.jmedchem.7b01640 | Glutamate receptor ionotropic, NMDA 2C | 1 |
| 29446949 | 10.1021/acs.jmedchem.7b01640 | Glutamate receptor ionotropic, NMDA 2B | 1 |
| 29446949 | 10.1021/acs.jmedchem.7b01640 | Glutamate receptor ionotropic, NMDA 2A | 1 |
Data from ChEMBL 36 via Core Engine