Compound Detail
CHEMBL4463054
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@@H]1CN(C(=O)C(=O)Nc2ccc3[nH]c(=O)oc3c2)CCN1c1ccc(F)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL4463054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUDGVQKWPVNCMP-LLVKDONJSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
416.4
MW (Da)
2.08
ALogP
5
HBA
2
HBD
98.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B CHEMBL3442 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Glutamate receptor ionotropic, NMDA 2B CHEMBL311 | IC50 | 7.2 | 7.2 | 63.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 15.9 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 25.3 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B | IC50 | = | 10.0 | nM | 8.0 | Antagonist activity at mouse NR2B receptor expressed in HEK293 cells co-expressi... | 30833109 |
| Glutamate receptor ionotropic, NMDA 2B | IC50 | = | 63.1 | nM | 7.2 | Displacement of [3H]-ifenprodil from NR2B receptor in rat brain cerebral cortex ... | 30833109 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30833109 | 10.1016/j.bmcl.2019.02.017 | Glutamate receptor ionotropic, NMDA 2B | 2 |
| 30833109 | 10.1016/j.bmcl.2019.02.017 | ADMET | 2 |
| 30833109 | 10.1016/j.bmcl.2019.02.017 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine