Compound Detail
CHEMBL5173006
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CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCN(C(=O)CCCN3CCN(Cc4ccc5c(c4)n(C)c(=O)n5C4CCC(=O)NC4=O)CC3)CC2)C1
Basic Information
| ChEMBL ID | CHEMBL5173006 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFQNLLJAYLEXQA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
935.1
MW (Da)
4.60
ALogP
14
HBA
1
HBD
159.1
PSA (Ų)
0.19
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LNCaP CHEMBL612518 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LNCaP | IC50 | = | 0.3 | nM | 9.52 | 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