Compound Detail
CHEMBL4519317
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CN1CCN(c2cc3c4c(c(NCCO)cc5c4c2C(=O)N(CCO)C5=O)C(=O)N(CCO)C3=O)CC1.Cl
Basic Information
| ChEMBL ID | CHEMBL4519317 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQFMBCDSKGILIE-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4597528 |
| Active Moiety | CHEMBL4597528 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
511.5
MW (Da)
-0.83
ALogP
10
HBA
4
HBD
154.0
PSA (Ų)
0.33
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.15
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PNT1A | IC50 | = | 7070.0 | nM | 5.15 | Cytotoxicity against human PNT1A cells assessed as reduction in cell viability a... | 30188709 |
| CWR22R | IC50 | = | 7670.0 | nM | 5.12 | Cytotoxicity against human 22Rv1 cells expressing full length androgen receptor ... | 30188709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30188709 | 10.1021/acs.jmedchem.8b00502 | quadruplex DNA | 12 |
| 30188709 | 10.1021/acs.jmedchem.8b00502 | CWR22R | 1 |
| 30188709 | 10.1021/acs.jmedchem.8b00502 | LNCaP | 1 |
| 30188709 | 10.1021/acs.jmedchem.8b00502 | PC-3 | 1 |
| 30188709 | 10.1021/acs.jmedchem.8b00502 | DU-145 | 1 |
| 30188709 | 10.1021/acs.jmedchem.8b00502 | PNT1A | 1 |
| 30188709 | 10.1021/acs.jmedchem.8b00502 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine