Compound Detail
CHEMBL451953
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CN1CCC(NC(=O)c2cccc3c(NCCCCCCNc4c5ccccc5nc5c(C(=O)NC6CCN(C)CC6)cccc45)c4ccccc4nc23)CC1
Basic Information
| ChEMBL ID | CHEMBL451953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIWVQGCVCSBDAQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
751.0
MW (Da)
7.82
ALogP
8
HBA
4
HBD
114.5
PSA (Ų)
0.07
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | IC50 | = | 210.0 | nM | 6.68 | Cytotoxicity against human CCRF-CEM cells after 72 hrs | 18329887 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18329887 | 10.1016/j.bmc.2008.02.063 | CCRF-CEM | 1 |
| 18329887 | 10.1016/j.bmc.2008.02.063 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine