Compound Detail
CHEMBL6007312
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O=CO[C@@H](CNC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)CCCNC(=O)c1ccc(I)cc1
Basic Information
| ChEMBL ID | CHEMBL6007312 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCTCDMJSACYJRU-HOCLYGCPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
592.3
MW (Da)
0.03
ALogP
7
HBA
6
HBD
200.2
PSA (Ų)
0.07
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | Ki | 11.0 | 11.0 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | Ki | = | 0.01 | nM | 11.0 | Fluorescence-Based Amplex Red Glutamic Acid Assay : The PSMA inhibitory activity... | - |
Data from ChEMBL 36 via Core Engine