Compound Detail
CHEMBL224511
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Basic Information
| ChEMBL ID | CHEMBL224511 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGVVYPOTZZJGDQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
3.89
ALogP
4
HBA
0
HBD
47.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KB CHEMBL398 | IC50 | 6.29 | 6.29 | 510.0 | 1 |
| CCRF-HSB-2 CHEMBL614541 | IC50 | 6.14 | 6.14 | 730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KB | IC50 | = | 510.0 | nM | 6.29 | Growth inhibition of human KB cells by MTT assay | 17049252 |
| CCRF-HSB-2 | IC50 | = | 730.0 | nM | 6.14 | Growth inhibition of human CCRF-HSB-2 cells by MTT assay | 17049252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17049252 | 10.1016/j.bmc.2006.09.063 | CCRF-HSB-2 | 1 |
| 17049252 | 10.1016/j.bmc.2006.09.063 | KB | 1 |
| 17049252 | 10.1016/j.bmc.2006.09.063 | NCI-H460 | 1 |
| 17049252 | 10.1016/j.bmc.2006.09.063 | HCT-116 | 1 |
| 17049252 | 10.1016/j.bmc.2006.09.063 | A-431 | 1 |
Data from ChEMBL 36 via Core Engine