Compound Detail
CHEMBL5542853
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CS(=O)(=O)Nc1ccc2c(c1)C(=O)OC2CCCN1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5542853 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYYUVWQPZWFZSF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
525.5
MW (Da)
3.53
ALogP
6
HBA
1
HBD
96.0
PSA (Ų)
0.56
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B CHEMBL311 | Ki | 7.82 | 7.82 | 15.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B | Ki | = | 15.22 | nM | 7.82 | Displacement of [3H]ifenprodil from rat GluN2B assessed as inhibition constant m... | 38413367 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38413367 | 10.1021/acs.jmedchem.3c01524 | Glutamate receptor ionotropic, NMDA 2B | 1 |
Data from ChEMBL 36 via Core Engine