Compound Detail
CHEMBL322225
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Basic Information
| ChEMBL ID | CHEMBL322225 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJZCMMCVSNUIEO-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
3.14
ALogP
4
HBA
2
HBD
85.0
PSA (Ų)
0.26
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NSCLC CHEMBL612554 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| Lewis lung carcinoma cell line CHEMBL614088 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| B16 CHEMBL381 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
| WALKER CHEMBL613532 | IC50 | 6.21 | 6.21 | 610.0 | 1 |
| YOSHIDA CHEMBL612816 | IC50 | 6.18 | 6.18 | 660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NSCLC | IC50 | = | 44.0 | nM | 7.36 | Evaluated in vitro for antiproliferative activity against NYH cell lines derived... | - |
| MCF7 | IC50 | = | 150.0 | nM | 6.82 | Evaluated in vitro for antiproliferative activity against MCF-7 cell lines model... | - |
| NCI-H460 | IC50 | = | 270.0 | nM | 6.57 | Evaluated in vitro for antiproliferative activity against NIC-H460 cell lines de... | - |
| Lewis lung carcinoma cell line | IC50 | = | 300.0 | nM | 6.52 | In vitro antiproliferative activity against Lewis cell lines | - |
| B16 | IC50 | = | 530.0 | nM | 6.28 | In vitro antiproliferative activity against B16 cell lines | - |
| WALKER | IC50 | = | 610.0 | nM | 6.21 | In vitro antiproliferative activity against Walker cell line | - |
| YOSHIDA | IC50 | = | 660.0 | nM | 6.18 | In vitro antiproliferative activity against Yoshida cell lines | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)10152-4 | NSCLC | 1 |
| - | 10.1016/S0960-894X(97)10152-4 | MCF7 | 1 |
| - | 10.1016/S0960-894X(97)10152-4 | NCI-H460 | 1 |
| - | 10.1016/S0960-894X(97)10152-4 | B16 | 1 |
| - | 10.1016/S0960-894X(97)10152-4 | Lewis lung carcinoma cell line | 1 |
| - | 10.1016/S0960-894X(97)10152-4 | YOSHIDA | 1 |
| - | 10.1016/S0960-894X(97)10152-4 | WALKER | 1 |
| - | 10.1016/S0960-894X(97)10152-4 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine