Compound Detail
CHEMBL456029
MIP-1095 Phase I
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Phase I
O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)Nc1ccc(I)cc1)C(=O)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL456029 |
| Name | MIP-1095 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | LFEGKCKGGNXWDV-KBPBESRZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
564.3
MW (Da)
1.65
ALogP
5
HBA
7
HBD
194.2
PSA (Ų)
0.14
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | IC50 | 8.52 | 8.26 | 3.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | IC50 | = | 3.0 | nM | 8.52 | Displacement of [125I]MIP-1095 from PSMA in human PC3-PIP cells after 1 hr by ga... | 32001090 |
| Glutamate carboxypeptidase 2 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of [131I]DCIT from PSMA in human LNCAP cells | 19111054 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19111054 | 10.1021/jm800994j | Glutamate carboxypeptidase 2 | 1 |
| 32001090 | 10.1016/j.bmc.2020.115319 | Glutamate carboxypeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine