Compound Detail
CHEMBL5990228
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O=C(O)CC[C@H](NC(=O)N[C@@H](Cc1ccc(NC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)cc1)C(=O)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5990228 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFQIKLOKLRKZKH-VXKWHMMOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
599.6
MW (Da)
1.79
ALogP
7
HBA
6
HBD
214.9
PSA (Ų)
0.21
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | Ki | 9.25 | 9.25 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | Ki | = | 0.56 | nM | 9.25 | Enzymatic Assay for In Vitro Evaluation of PSMA Inhibitors: The inhibitory activ... | - |
Data from ChEMBL 36 via Core Engine