Compound Detail
CHEMBL149623
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 | CHEMBL149623 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFKLOCVPQIILGF-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
287.3
MW (Da)
2.81
ALogP
5
HBA
0
HBD
48.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-468 CHEMBL614335 | IC50 | 4.81 | 4.81 | 15400.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.72 | 4.72 | 19100.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.65 | 4.65 | 22200.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 4.39 | 4.39 | 40500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-468 | IC50 | = | 15400.0 | nM | 4.81 | The compound was tested in vitro for its antitumor activity against human breast... | 10743960 |
| MCF7 | IC50 | = | 19100.0 | nM | 4.72 | The compound was tested in vitro for its antitumor activity against human breast... | 10743960 |
| HCT-116 | IC50 | = | 22200.0 | nM | 4.65 | The compound was tested in vitro for its antitumor activity against human colon ... | 10743960 |
| HT-29 | IC50 | = | 40500.0 | nM | 4.39 | The compound was tested in vitro for its antitumor activity against human colon ... | 10743960 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10743960 | 10.1016/s0960-894x(00)00027-5 | HCT-116 | 1 |
| 10743960 | 10.1016/s0960-894x(00)00027-5 | HT-29 | 1 |
| 10743960 | 10.1016/s0960-894x(00)00027-5 | MCF7 | 1 |
| 10743960 | 10.1016/s0960-894x(00)00027-5 | MDA-MB-468 | 1 |
Data from ChEMBL 36 via Core Engine