Compound Detail
CHEMBL3578200
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O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(Br)cc1)C(=O)c1ccc(N2CCN(c3ccc(N4CCN(C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@@H]65)CC4)cc3)CC2)nc1)C(=O)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3578200 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBMKDPYHKWFYCV-NQUMCYNGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1663.8
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | Ki | 9.96 | 9.96 | 0.1 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.14 | 6.14 | 730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | Ki | = | 0.11 | nM | 9.96 | Inhibition of antiTEV-tagged GCP2 extracellular portion (aa 44-750) (unknown ori... | 25923815 |
| Unchecked | Ki | = | 730.0 | nM | 6.14 | Inhibition of antiTEV-tagged GCP3 extracellular portion (aa 36-740) (unknown ori... | 25923815 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25923815 | 10.1021/acs.jmedchem.5b00278 | Unchecked | 2 |
| 25923815 | 10.1021/acs.jmedchem.5b00278 | Glutamate carboxypeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine