Compound Detail
CHEMBL128665
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COC(=O)C(C)NP(=O)(OCC1C=CC(Cn2cc(C)c(=O)[nH]c2=O)O1)Oc1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL128665 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGOYICSZBVUBQM-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
513.9
MW (Da)
2.18
ALogP
9
HBA
2
HBD
137.9
PSA (Ų)
0.28
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.3
Target Activity Profile
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 151.0 | hr | - |
| T1/2 | - | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | EC50 | = | 5.0 | nM | 8.3 | In vitro effective compound concentration required to protect CEM/O cells agains... | 9986709 |
| CCRF-CEM | EC50 | = | 6.0 | nM | 8.22 | In vitro effective compound concentration required to protect CEM/TK cells again... | 9986709 |
| CCRF-CEM | EC50 | = | 7.0 | nM | 8.15 | In vitro effective compound concentration required to protect CEM/O cells agains... | 9986709 |
| C3H/3T3 | EC50 | = | 2200.0 | nM | 5.66 | In vitro effective compound concentration required to protect against MSV-induce... | 9986709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9986709 | 10.1021/jm9803931 | CCRF-CEM | 4 |
| 9986709 | 10.1021/jm9803931 | C3H/3T3 | 2 |
| 9986709 | 10.1021/jm9803931 | ADMET | 2 |
| 9986709 | 10.1021/jm9803931 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine