Compound Detail
CHEMBL5180617
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
CNC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCN(C(=O)CCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C1
Basic Information
| ChEMBL ID | CHEMBL5180617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOXRGDZBEAJAKE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
894.0
MW (Da)
5.24
ALogP
12
HBA
3
HBD
187.1
PSA (Ų)
0.13
QED
3
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LNCaP CHEMBL612518 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LNCaP | IC50 | = | 0.4 | nM | 9.4 | 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