Compound Detail
CHEMBL1332173
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O=C(O)CCC(=O)N1N=C(c2c(O)nc3ccc(Cl)cc3c2-c2ccccc2)CC1c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL1332173 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKHXFNMEESCBBU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
499.9
MW (Da)
5.80
ALogP
5
HBA
2
HBD
103.1
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL4117 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
| Glutamate receptor ionotropic, NMDA 2C CHEMBL401 | IC50 | 4.07 | 4.07 | 86000.0 | 1 |
| Glutamate receptor ionotropic, NMDA 2D CHEMBL303 | IC50 | 4.06 | 4.06 | 88000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | IC50 | = | 4600.0 | nM | 5.34 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
| Glutamate receptor ionotropic, NMDA 2C | IC50 | = | 86000.0 | nM | 4.07 | Negative allosteric modulation of recombinant rat GluN2C receptor expressed in X... | 23909910 |
| Glutamate receptor ionotropic, NMDA 2D | IC50 | = | 88000.0 | nM | 4.06 | Negative allosteric modulation of recombinant rat GluN2D receptor expressed in X... | 23909910 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23909910 | 10.1021/jm400652r | Glutamate receptor ionotropic, NMDA 2A | 1 |
| 23909910 | 10.1021/jm400652r | Glutamate receptor ionotropic, NMDA 2B | 1 |
| 23909910 | 10.1021/jm400652r | Glutamate receptor ionotropic, NMDA 2C | 1 |
| 23909910 | 10.1021/jm400652r | Glutamate receptor ionotropic, NMDA 2D | 1 |
Data from ChEMBL 36 via Core Engine