Compound Detail
CHEMBL4635753
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Basic Information
| ChEMBL ID | CHEMBL4635753 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKPCKOKYSVPFEB-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
2
PK Parameters
9
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
5.40
ALogP
4
HBA
2
HBD
49.8
PSA (Ų)
0.52
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LNCaP C4-2 CHEMBL4296460 | IC50 | 5.7 | 5.47 | 2000.0 | 4 |
| PC-3 CHEMBL390 | IC50 | 5.32 | 5.32 | 4800.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.4167 | hr | Homo sapiens |
| T1/2 | 0.8333 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LNCaP C4-2 | IC50 | = | 2000.0 | nM | 5.7 | Cytotoxicity against human C4-2 cells transfected with pcDNA3.1 assessed as redu... | 32421328 |
| LNCaP C4-2 | IC50 | = | 3100.0 | nM | 5.51 | Cytotoxicity against human C4-2 cells assessed as reduction in cell viability me... | 32421328 |
| LNCaP C4-2 | IC50 | = | 3100.0 | nM | 5.51 | Cytotoxicity against human LNCaP C4-2 cells assessed as cell growth inhibition i... | 38092421 |
| PC-3 | IC50 | = | 4800.0 | nM | 5.32 | Cytotoxicity against human PC3 cells assessed as reduction in cell viability mea... | 32421328 |
| PC-3 | IC50 | = | 4800.0 | nM | 5.32 | Cytotoxicity against human PC-3 cells assessed as reduction in cell viability in... | 38092421 |
| LNCaP C4-2 | IC50 | = | 7000.0 | nM | 5.16 | Cytotoxicity against human C4-2 cells transfected with HA-tagged survivin assess... | 32421328 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32421328 | 10.1021/acs.jmedchem.0c00475 | PC-3 | 10 |
| 32421328 | 10.1021/acs.jmedchem.0c00475 | LNCaP C4-2 | 9 |
| 32421328 | 10.1021/acs.jmedchem.0c00475 | Baculoviral IAP repeat-containing protein 5 | 9 |
| 32421328 | 10.1021/acs.jmedchem.0c00475 | ADMET | 6 |
| 32421328 | 10.1021/acs.jmedchem.0c00475 | DU-145 | 1 |
| 32421328 | 10.1021/acs.jmedchem.0c00475 | Unchecked | 1 |
| 32421328 | 10.1021/acs.jmedchem.0c00475 | No relevant target | 1 |
| 38092421 | 10.1021/acs.jmedchem.3c01130 | PC-3 | 1 |
| 38092421 | 10.1021/acs.jmedchem.3c01130 | LNCaP C4-2 | 1 |
Data from ChEMBL 36 via Core Engine