Compound Detail
CHEMBL4637348
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Basic Information
| ChEMBL ID | CHEMBL4637348 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONXLPQBYPUBYEJ-BRJLIKDPSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
469.5
MW (Da)
4.78
ALogP
10
HBA
3
HBD
151.6
PSA (Ų)
0.22
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.09
Kd 1 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Baculoviral IAP repeat-containing protein 5 CHEMBL5989 | Kd | 6.62 | 6.62 | 240.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 5.09 | 4.895 | 8100.0 | 2 |
| LNCaP C4-2 CHEMBL4296460 | IC50 | 5.04 | 5.04 | 9100.0 | 1 |
| DU-145 CHEMBL613508 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Baculoviral IAP repeat-containing protein 5 | Kd | = | 240.0 | nM | 6.62 | Binding affinity to Survivin (unknown origin) assessed as dissociation constant ... | 38092421 |
| PC-3 | IC50 | = | 8100.0 | nM | 5.09 | Cytotoxicity against human PC3 cells assessed as reduction in cell viability mea... | 32421328 |
| LNCaP C4-2 | IC50 | = | 9100.0 | nM | 5.04 | Cytotoxicity against human C4-2 cells assessed as reduction in cell viability me... | 32421328 |
| PC-3 | IC50 | = | 20000.0 | nM | 4.7 | Cytotoxicity against human PC-3 cells assessed as reduction in cell viability in... | 38092421 |
| DU-145 | IC50 | = | 25000.0 | nM | 4.6 | Cytotoxicity against human DU-145 cells assessed as inhibition of cell growth in... | 38092421 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32421328 | 10.1021/acs.jmedchem.0c00475 | Baculoviral IAP repeat-containing protein 5 | 3 |
| 32421328 | 10.1021/acs.jmedchem.0c00475 | PC-3 | 1 |
| 32421328 | 10.1021/acs.jmedchem.0c00475 | LNCaP C4-2 | 1 |
| 38092421 | 10.1021/acs.jmedchem.3c01130 | PC-3 | 1 |
| 38092421 | 10.1021/acs.jmedchem.3c01130 | DU-145 | 1 |
| 38092421 | 10.1021/acs.jmedchem.3c01130 | Baculoviral IAP repeat-containing protein 5 | 1 |
Data from ChEMBL 36 via Core Engine