Compound Detail
CHEMBL2283061
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C=C(c1ccc(C(=O)NCCCCCCNC(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(C)(C)CCC4(C)C)cc2)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Basic Information
| ChEMBL ID | CHEMBL2283061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXHQMFZJSXTPRB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
780.1
MW (Da)
11.73
ALogP
3
HBA
3
HBD
87.3
PSA (Ų)
0.12
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 4.15 | 4.15 | 70680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 70680.0 | nM | 4.15 | Cytotoxicity against Homo sapiens (human) HL60 cells assessed as growth inhibiti... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-012-0019-9 | K562 | 1 |
| - | 10.1007/s00044-012-0019-9 | NB-4 | 1 |
| - | 10.1007/s00044-012-0019-9 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine