Compound Detail
CHEMBL454988
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CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)OCCNS(=O)(=O)c1cccc2c(N=[N+]=[N-])cccc12
Basic Information
| ChEMBL ID | CHEMBL454988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHBGCQYYFQWIRN-CWDLOFLHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
582.7
MW (Da)
3.06
ALogP
8
HBA
4
HBD
196.6
PSA (Ų)
0.07
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Baculoviral IAP repeat-containing protein 3 CHEMBL5335 | IC50 | 5.72 | 5.72 | 1890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Baculoviral IAP repeat-containing protein 3 | IC50 | = | 1890.0 | nM | 5.72 | Degradation promoting activity of FLAG tagged cIAP1 expressed in human HT1080 ce... | 18448338 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18448338 | 10.1016/j.bmcl.2008.04.031 | Baculoviral IAP repeat-containing protein 3 | 2 |
Data from ChEMBL 36 via Core Engine