Compound Detail
CHEMBL185119
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Basic Information
| ChEMBL ID | CHEMBL185119 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBWGZFMCPCBGBU-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
454.4
MW (Da)
6.29
ALogP
4
HBA
1
HBD
37.4
PSA (Ų)
0.23
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | IC50 | 7.7 | 7.7 | 20.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.22 | 7.22 | 60.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | IC50 | = | 20.0 | nM | 7.7 | Concentration required for growth inhibition of human lymphoblastic leukemic cel... | 15324894 |
| CCRF-CEM | IC50 | = | 20.0 | nM | 7.7 | Cytotoxicity against human CCRF-CEM cells after 72 hrs by XTT-tetrazolium assay | 18752869 |
| NON-PROTEIN TARGET | IC50 | = | 60.0 | nM | 7.22 | Concentration required for growth inhibition of vinblastine resistant human lymp... | 15324894 |
| NON-PROTEIN TARGET | IC50 | = | 60.0 | nM | 7.22 | Concentration required for growth inhibition of taxol resistant human lymphoblas... | 15324894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18752869 | 10.1016/j.ejmech.2008.07.016 | CCRF-CEM | 3 |
| 18752869 | 10.1016/j.ejmech.2008.07.016 | No relevant target | 3 |
| 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