Compound Detail
CHEMBL185256
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Cc1cccc2c(Nc3ccc(OCCN(CCCl)CCCl)cc3)c3cccc(C(=O)NCCN(C)C)c3nc12
Basic Information
| ChEMBL ID | CHEMBL185256 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAPDSKSTWQOVQC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
582.6
MW (Da)
5.89
ALogP
6
HBA
2
HBD
69.7
PSA (Ų)
0.14
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | IC50 | 6.11 | 6.11 | 770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | IC50 | = | 770.0 | nM | 6.11 | Concentration required for growth inhibition of human lymphoblastic leukemic cel... | 15324894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15324894 | 10.1016/j.bmcl.2004.06.080 | NON-PROTEIN TARGET | 2 |
| 15324894 | 10.1016/j.bmcl.2004.06.080 | CCRF-CEM | 1 |
| 15324894 | 10.1016/j.bmcl.2004.06.080 | A549 | 1 |
| 15324894 | 10.1016/j.bmcl.2004.06.080 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine