Compound Detail
CHEMBL5274822
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O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)C(Cc1cccc2ccccc12)NC(=O)C1CCC(CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(=O)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5274822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWWSJCHBFVTYQL-UBMAMMLKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1042.2
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LNCaP CHEMBL612518 | IC50 | 10.0 | 10.0 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LNCaP | IC50 | = | 0.1 | nM | 10.0 | Antiproliferative activity against human LNCaP cells assessed as reduction in ce... | 36655127 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36655127 | 10.1021/acsmedchemlett.2c00510 | LNCaP | 1 |
Data from ChEMBL 36 via Core Engine