Compound Detail
CHEMBL1917671
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1917671 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKCDGURVIDOVDO-JVWAILMASA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
5.35
ALogP
4
HBA
2
HBD
73.4
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 4.87 | 4.87 | 13440.0 | 1 |
| UACC-62 CHEMBL614610 | IC50 | 4.73 | 4.73 | 18780.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.69 | 4.69 | 20410.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.65 | 4.65 | 22600.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 4.25 | 4.25 | 55580.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 4.09 | 4.09 | 80900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 13440.0 | nM | 4.87 | Antitumor activity against human K562 cells by SRB colorimetric assay | 21944971 |
| UACC-62 | IC50 | = | 18780.0 | nM | 4.73 | Antitumor activity against human UACC62 cells by SRB colorimetric assay | 21944971 |
| NON-PROTEIN TARGET | IC50 | = | 20410.0 | nM | 4.69 | Antitumor activity against human PCO3 cells by SRB colorimetric assay | 21944971 |
| MCF7 | IC50 | = | 22600.0 | nM | 4.65 | Antitumor activity against human MCF7 cells by SRB colorimetric assay | 21944971 |
| HT-29 | IC50 | = | 55580.0 | nM | 4.25 | Antitumor activity against human HT-29 cells by SRB colorimetric assay | 21944971 |
| NCI-H460 | IC50 | = | 80900.0 | nM | 4.09 | Antitumor activity against human NCI-H460 cells by SRB colorimetric assay | 21944971 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21944971 | 10.1016/j.bmc.2011.08.059 | UACC-62 | 1 |
| 21944971 | 10.1016/j.bmc.2011.08.059 | HT-29 | 1 |
| 21944971 | 10.1016/j.bmc.2011.08.059 | NON-PROTEIN TARGET | 1 |
| 21944971 | 10.1016/j.bmc.2011.08.059 | OVCAR | 1 |
| 21944971 | 10.1016/j.bmc.2011.08.059 | K562 | 1 |
| 21944971 | 10.1016/j.bmc.2011.08.059 | NCI-H460 | 1 |
| 21944971 | 10.1016/j.bmc.2011.08.059 | MCF7 | 1 |
| 21944971 | 10.1016/j.bmc.2011.08.059 | 786-0 | 1 |
Data from ChEMBL 36 via Core Engine