Compound Detail
CHEMBL40235
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
COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)NCC(=O)N23)cc(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL40235 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUFQRMFOQBAQHF-KKSFZXQISA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
421.4
MW (Da)
2.17
ALogP
5
HBA
2
HBD
92.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Panel leukemia (Carcinoma cell lines) CHEMBL614083 | IC50 | 4.14 | 4.14 | 72443.6 | 1 |
| Breast carcinoma cell CHEMBL614026 | IC50 | 4.03 | 4.03 | 93325.4 | 1 |
| Renal cell CHEMBL614738 | IC50 | 4.02 | 4.02 | 95499.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Panel leukemia (Carcinoma cell lines) | IC50 | = | 72443.6 | nM | 4.14 | Inhibitory activity against leukemia cell line | 10780915 |
| Breast carcinoma cell | IC50 | = | 93325.43 | nM | 4.03 | Inhibitory activity against breast cell line | 10780915 |
| Renal cell | IC50 | = | 95499.26 | nM | 4.02 | Inhibitory activity against renal cell line | 10780915 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10780915 | 10.1021/jm9905662 | 3Y1 cell line | 3 |
| 10780915 | 10.1021/jm9905662 | Panel leukemia (Carcinoma cell lines) | 1 |
| 10780915 | 10.1021/jm9905662 | NSO | 1 |
| 10780915 | 10.1021/jm9905662 | Colon cell | 1 |
| 10780915 | 10.1021/jm9905662 | CNS cell | 1 |
| 10780915 | 10.1021/jm9905662 | Melanoma cell | 1 |
| 10780915 | 10.1021/jm9905662 | Ovarian carcinoma cell | 1 |
| 10780915 | 10.1021/jm9905662 | Renal cell | 1 |
| 10780915 | 10.1021/jm9905662 | Prostate cell | 1 |
| 10780915 | 10.1021/jm9905662 | Breast carcinoma cell | 1 |
Data from ChEMBL 36 via Core Engine