Compound Detail
CHEMBL69063
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COC(=O)c1cc2c([nH]1)C(=O)C=C1C2C(C)CN1C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1
Basic Information
| ChEMBL ID | CHEMBL69063 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HEGVEVMSAJPKJI-UHFFFAOYSA-N |
0
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
479.5
MW (Da)
3.26
ALogP
7
HBA
2
HBD
123.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas.
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1000.0 | hr | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00388-5 | HeLa | 2 |
| - | 10.1016/0960-894X(96)00388-5 | ADMET | 1 |
| - | 10.1016/0960-894X(96)00388-5 | Sarcoma-180 | 1 |
Data from ChEMBL 36 via Core Engine