Compound Detail
CHEMBL5183992
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
CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCN(CCN3CCOC(CNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)CC2)C1
Basic Information
| ChEMBL ID | CHEMBL5183992 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHIKOBJNAADESC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
908.0
MW (Da)
4.06
ALogP
14
HBA
2
HBD
170.5
PSA (Ų)
0.21
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LNCaP CHEMBL612518 | IC50 | 10.0 | 10.0 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LNCaP | IC50 | = | 0.1 | nM | 10.0 | Antiproliferative activity against human LNCaP cells assessed as reduction in ce... | 35978697 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35978697 | 10.1021/acsmedchemlett.2c00317 | LNCaP | 1 |
| 35978697 | 10.1021/acsmedchemlett.2c00317 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine