Compound Detail
CHEMBL5836068
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O=C(O)CC[C@H](NC(=O)N[C@@H](Cc1ccc(NC(=O)CCCn2cc(CCCF)nn2)cc1)C(=O)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5836068 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMJMYEMMWRXQTE-OALUTQOASA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
550.5
MW (Da)
1.21
ALogP
8
HBA
6
HBD
212.8
PSA (Ų)
0.17
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | Ki | 8.04 | 7.875 | 9.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | Ki | = | 9.1 | nM | 8.04 | Enzymatic Assay for In Vitro Evaluation of PSMA Inhibitors: The inhibitory activ... | - |
| Glutamate carboxypeptidase 2 | Ki | = | 19.7 | nM | 7.71 | Enzymatic Assay for In Vitro Evaluation of PSMA Inhibitors: The inhibitory activ... | - |
Data from ChEMBL 36 via Core Engine