Compound Detail
CHEMBL5867729
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O=C(O)CCC(NC(=O)N[C@@H](CCCCNC(=O)N1CCN(C(=O)c2ccc(-n3cc(CCCF)nn3)cc2)CC1)C(=O)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5867729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDZLFHCNTRAILQ-NQCNTLBGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
662.7
MW (Da)
0.88
ALogP
9
HBA
6
HBD
236.4
PSA (Ų)
0.13
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | Ki | 8.03 | 8.03 | 9.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | Ki | = | 9.4 | nM | 8.03 | Enzymatic Assay for In Vitro Evaluation of PSMA Inhibitors: The inhibitory activ... | - |
Data from ChEMBL 36 via Core Engine