Compound Detail
CHEMBL3578201
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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)c5ccc(C(=O)O)c(-c6c7ccc(=O)cc-7oc7cc(O)ccc67)c5)CC4)cc3)CC2)nc1)C(=O)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3578201 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNPUHOJFAXMPAU-GTMCEHENSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1196.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 16.0 | nM | 7.8 | 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 | Glutamate carboxypeptidase 2 | 3 |
| 25923815 | 10.1021/acs.jmedchem.5b00278 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine