Compound Detail
CHEMBL5559973
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
O=C(NC[C@H](NC(=O)[C@@H]1C[C@@H](NC(=O)c2c[nH]nn2)CN1C(=O)c1c[nH]nn1)C(=O)O)c1c[nH]nn1
Basic Information
| ChEMBL ID | CHEMBL5559973 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFOMVPSUFXNQKT-MKCWBWRRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
501.4
MW (Da)
-3.95
ALogP
11
HBA
7
HBD
269.6
PSA (Ų)
0.15
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-acetylated-alpha-linked acidic dipeptidase 2 CHEMBL2609 | Kd | 8.82 | 8.82 | 1.5 | 1 |
| Glutamate carboxypeptidase 2 CHEMBL1892 | Kd | 6.64 | 6.64 | 231.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-acetylated-alpha-linked acidic dipeptidase 2 | Kd | = | 1.5 | nM | 8.82 | Displacement of [177Lu]LU-PSMA-617 from human recombinant GCPIII assessed as dis... | 38716576 |
| Glutamate carboxypeptidase 2 | Kd | = | 231.0 | nM | 6.64 | Displacement of [177Lu]LU-PSMA-617 from human recombinant PSMA assessed as disso... | 38716576 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38716576 | 10.1021/acs.jmedchem.4c00332 | N-acetylated-alpha-linked acidic dipeptidase 2 | 2 |
| 38716576 | 10.1021/acs.jmedchem.4c00332 | Glutamate carboxypeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine