Compound Detail
CHEMBL234358
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CCCN1CCC(C(=O)N(C)Cc2cc(Cl)cc(-c3cc(-c4cc(C(F)(F)F)ccc4Cl)c(C#N)c(=O)[nH]3)c2O)CC1
Basic Information
| ChEMBL ID | CHEMBL234358 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJBUJUGLLLXHLL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
621.5
MW (Da)
6.69
ALogP
5
HBA
2
HBD
100.4
PSA (Ų)
0.31
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Baculoviral IAP repeat-containing protein 5 CHEMBL5989 | Kd | 7.43 | 7.395 | 37.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Baculoviral IAP repeat-containing protein 5 | Kd | = | 37.0 | nM | 7.43 | Binding affinity to human survivin expressed in Escherichia coli BL21 cells afte... | 17391963 |
| Baculoviral IAP repeat-containing protein 5 | Kd | = | 44.0 | nM | 7.36 | Binding affinity to recombinant full length N-terminal GST-tagged human survivin... | 26733475 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17391963 | 10.1016/j.bmcl.2007.03.042 | Baculoviral IAP repeat-containing protein 5 | 1 |
| 26733475 | 10.1016/j.bmcl.2015.12.046 | Baculoviral IAP repeat-containing protein 5 | 1 |
Data from ChEMBL 36 via Core Engine