Compound Detail
CHEMBL5092285
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COc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2ccsc2S(=O)(=O)N2CCN(C(=S)Nc3ccc(Cl)cc3)CC2)cc1OC
Basic Information
| ChEMBL ID | CHEMBL5092285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMYXFYQNLNJOQB-UHFFFAOYSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
675.2
MW (Da)
6.49
ALogP
9
HBA
1
HBD
123.5
PSA (Ų)
0.12
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34228434 | 10.1021/acs.jmedchem.1c00690 | HeLa | 1 |
| 34228434 | 10.1021/acs.jmedchem.1c00690 | HL-60 | 1 |
| 34228434 | 10.1021/acs.jmedchem.1c00690 | RS4-11 | 1 |
| 34228434 | 10.1021/acs.jmedchem.1c00690 | HEK-293T | 1 |
| 34228434 | 10.1021/acs.jmedchem.1c00690 | Bcl-2-like protein 1 | 1 |
| 34228434 | 10.1021/acs.jmedchem.1c00690 | Apoptosis regulator Bcl-2 | 1 |
| 34228434 | 10.1021/acs.jmedchem.1c00690 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
| 34228434 | 10.1021/acs.jmedchem.1c00690 | Unchecked | 1 |
| 34228434 | 10.1021/acs.jmedchem.1c00690 | Induced myeloid leukemia cell differentiation protein Mcl-1/Bcl-2-like protein 11 | 1 |
Data from ChEMBL 36 via Core Engine