Compound Detail
CHEMBL372206
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COc1cc2cc(C(=O)Nc3cc(OCc4ccccc4)c4ccccc4c3CCCl)[nH]c2c(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL372206 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOFFSFBROBVBCN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
545.0
MW (Da)
6.96
ALogP
5
HBA
2
HBD
81.8
PSA (Ų)
0.19
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 4.29 | 4.29 | 51000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 51000.0 | nM | 4.29 | The concentration required for inhibiting the growth of the murine L1210 leukemi... | 15916443 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15916443 | 10.1021/jm050179u | L1210 | 1 |
| 15916443 | 10.1021/jm050179u | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine