Compound Detail
CHEMBL2369357
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 | CHEMBL2369357 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACFMNACIONBQGL-JJFYIABZSA-N |
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
438.4
MW (Da)
3.71
ALogP
8
HBA
0
HBD
110.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
| MIA PaCa-2 CHEMBL614725 | IC50 | 4.44 | 4.44 | 36000.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.23 | 4.23 | 59000.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.2 | 4.2 | 63000.0 | 1 |
| SW-620 CHEMBL612262 | IC50 | 4.14 | 4.14 | 73000.0 | 1 |
| WI-38 CHEMBL614391 | IC50 | 4.14 | 4.14 | 73000.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.04 | 4.04 | 92000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | IC50 | = | 7300.0 | nM | 5.14 | Cytostatic activity against human CEM/0 after 72 hrs by cell counting | 22555152 |
| Unchecked | IC50 | = | 21000.0 | nM | 4.68 | Cytostatic activity against mouse L1210/0 after 48 hrs by cell counting | 22555152 |
| MIA PaCa-2 | IC50 | = | 36000.0 | nM | 4.44 | Antiproliferative activity against human MIAPaCa2 cells after 72 hrs by MTT assa... | 22555152 |
| HeLa | IC50 | = | 59000.0 | nM | 4.23 | Antiproliferative activity against human HeLa cells after 72 hrs by MTT assay | 22555152 |
| MCF7 | IC50 | = | 63000.0 | nM | 4.2 | Antiproliferative activity against human MCF7 cells after 72 hrs by MTT assay | 22555152 |
| WI-38 | IC50 | = | 73000.0 | nM | 4.14 | Antiproliferative activity against human WI38 cells after 72 hrs by MTT assay | 22555152 |
| SW-620 | IC50 | = | 73000.0 | nM | 4.14 | Antiproliferative activity against human SW620 cells after 72 hrs by MTT assay | 22555152 |
| HepG2 | IC50 | = | 92000.0 | nM | 4.04 | Antiproliferative activity against human HepG2 cells after 72 hrs by MTT assay | 22555152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22555152 | 10.1016/j.bmc.2012.01.054 | Hepatitis C virus | 2 |
| 22555152 | 10.1016/j.bmc.2012.01.054 | Unchecked | 1 |
| 22555152 | 10.1016/j.bmc.2012.01.054 | ADMET | 1 |
| 22555152 | 10.1016/j.bmc.2012.01.054 | WI-38 | 1 |
| 22555152 | 10.1016/j.bmc.2012.01.054 | MIA PaCa-2 | 1 |
| 22555152 | 10.1016/j.bmc.2012.01.054 | SW-620 | 1 |
| 22555152 | 10.1016/j.bmc.2012.01.054 | HepG2 | 1 |
| 22555152 | 10.1016/j.bmc.2012.01.054 | MCF7 | 1 |
| 22555152 | 10.1016/j.bmc.2012.01.054 | HeLa | 1 |
| 22555152 | 10.1016/j.bmc.2012.01.054 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine