Compound Detail
CHEMBL345804
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COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccc(C)nc3)cc1)CC2
Basic Information
| ChEMBL ID | CHEMBL345804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKFOOHUJNPTUOS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
550.7
MW (Da)
5.51
ALogP
6
HBA
2
HBD
92.8
PSA (Ų)
0.29
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| EMT6 CHEMBL614294 | IC50 | 7.17 | 7.17 | 67.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| EMT6 | IC50 | = | 67.0 | nM | 7.17 | Reversal effect on the accumulation of [3H]- daunorubicin in mouse mammary carci... | 10098671 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10098671 | 10.1016/s0960-894x(99)00030-x | EMT6 | 1 |
Data from ChEMBL 36 via Core Engine