Compound Detail
CHEMBL191273
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 | CHEMBL191273 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAGKJIYNPSIMRS-UHFFFAOYSA-N |
9
Targets
9
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
3.79
ALogP
6
HBA
1
HBD
74.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SW-620 CHEMBL612262 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| HCT-15 CHEMBL612263 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 6.33 | 6.33 | 470.0 | 1 |
| A549 CHEMBL392 | IC50 | 6.06 | 6.06 | 870.0 | 1 |
| HOP-62 CHEMBL614643 | IC50 | 6.03 | 6.03 | 930.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 5.58 | 5.58 | 2640.0 | 1 |
| SiHa CHEMBL612542 | IC50 | 5.44 | 5.44 | 3630.0 | 1 |
| OVCAR-5 CHEMBL614214 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| HEp-2 CHEMBL614735 | IC50 | 5.08 | 5.08 | 8410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SW-620 | IC50 | = | 230.0 | nM | 6.64 | Inhibitory concentration against human colon cancer SW-620 cell line | 15893928 |
| HCT-15 | IC50 | = | 250.0 | nM | 6.6 | Antiproliferative activity against human colon cancer HCT-15 cell line | 15893928 |
| HT-29 | IC50 | = | 470.0 | nM | 6.33 | Antiproliferative activity against Colon cancer HT-29 cell line | 15893928 |
| A549 | IC50 | = | 870.0 | nM | 6.06 | Antiproliferative activity against human cancer A-549 cell line | 15893928 |
| HOP-62 | IC50 | = | 930.0 | nM | 6.03 | Antiproliferative activity against human cancer HOP-62 cell line | 15893928 |
| PC-3 | IC50 | = | 2640.0 | nM | 5.58 | Antiproliferative activity against prostate cancer PC-3 cell line | 15893928 |
| SiHa | IC50 | = | 3630.0 | nM | 5.44 | Antiproliferative activity against human SIHA cell line | 15893928 |
| OVCAR-5 | IC50 | = | 4400.0 | nM | 5.36 | Antiproliferative activity against human cancer OVCAR-5 cell line | 15893928 |
| HEp-2 | IC50 | = | 8410.0 | nM | 5.08 | Antiproliferative activity against human cancer Hep-2 cell line | 15893928 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15893928 | 10.1016/j.bmcl.2005.03.121 | HT-29 | 1 |
| 15893928 | 10.1016/j.bmcl.2005.03.121 | SK-OV-3 | 1 |
| 15893928 | 10.1016/j.bmcl.2005.03.121 | OVCAR-5 | 1 |
| 15893928 | 10.1016/j.bmcl.2005.03.121 | SNB-78 | 1 |
| 15893928 | 10.1016/j.bmcl.2005.03.121 | HCT-15 | 1 |
| 15893928 | 10.1016/j.bmcl.2005.03.121 | SW-620 | 1 |
| 15893928 | 10.1016/j.bmcl.2005.03.121 | A549 | 1 |
| 15893928 | 10.1016/j.bmcl.2005.03.121 | HOP-62 | 1 |
| 15893928 | 10.1016/j.bmcl.2005.03.121 | HEp-2 | 1 |
| 15893928 | 10.1016/j.bmcl.2005.03.121 | SiHa | 1 |
| 15893928 | 10.1016/j.bmcl.2005.03.121 | PC-3 | 1 |
| 15893928 | 10.1016/j.bmcl.2005.03.121 | DU-145 | 1 |
Data from ChEMBL 36 via Core Engine