Compound Detail
CHEMBL3108817
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CN[C@@H](C)C(=O)N[C@H](C(=O)N1[C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2OCC#CC#CCO[C@@H]2Cc3ccccc3[C@@H]2NC(=O)[C@@H]2C[C@@H]3C[C@@H]3N2C(=O)[C@@H](NC(=O)[C@H](C)NC)C2CCCCC2)C[C@@H]2C[C@@H]21)C1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL3108817 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXZDEORYKQDMGZ-UCCYDSEHSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1039.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Baculoviral IAP repeat-containing protein 2 CHEMBL5462 | EC50 | 10.0 | 10.0 | 0.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.01 | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Baculoviral IAP repeat-containing protein 2 | EC50 | = | 0.1 | nM | 10.0 | Binding affinity to cIAP1 in human MDA-MB-231 cells assessed as induction of pro... | 24320998 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24320998 | 10.1021/jm401075x | Plasma | 1 |
| 24320998 | 10.1021/jm401075x | No relevant target | 1 |
| 24320998 | 10.1021/jm401075x | MDA-MB-231 | 1 |
| 24320998 | 10.1021/jm401075x | Baculoviral IAP repeat-containing protein 2 | 1 |
Data from ChEMBL 36 via Core Engine