Compound Detail
CHEMBL4793552
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CCCN1CCC(C(=O)N(C)Cc2cc(Cl)cc(-c3cc(-c4cc(C(F)(F)F)ccc4I)c(C#N)c(=O)[nH]3)c2O)CC1
Basic Information
| ChEMBL ID | CHEMBL4793552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQSMHJINRMYMJX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
712.9
MW (Da)
6.64
ALogP
5
HBA
2
HBD
100.4
PSA (Ų)
0.27
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Baculoviral IAP repeat-containing protein 5 CHEMBL5989 | Kd | 7.47 | 7.47 | 34.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Baculoviral IAP repeat-containing protein 5 | Kd | = | 34.0 | nM | 7.47 | Binding affinity to recombinant full length N-terminal GST-tagged human survivin... | 26733475 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26733475 | 10.1016/j.bmcl.2015.12.046 | Baculoviral IAP repeat-containing protein 5 | 7 |
Data from ChEMBL 36 via Core Engine