Compound Detail
CHEMBL124586
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COC(=O)C(C)NP(=O)(OCC1C=CC(n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)OC)cc1
Basic Information
| ChEMBL ID | CHEMBL124586 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWEYWXIZSMMCQN-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
666.6
MW (Da)
2.26
ALogP
13
HBA
3
HBD
202.6
PSA (Ų)
0.12
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | EC50 | 6.19 | 6.15 | 650.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | EC50 | = | 650.0 | nM | 6.19 | Concentration required to protect CEM cells against cytopathicity of HIV-1 by 50... | 10714505 |
| CCRF-CEM | EC50 | = | 700.0 | nM | 6.16 | Concentration required to protect CEM cells against cytopathicity of HIV-2 by 50... | 10714505 |
| CCRF-CEM | EC50 | = | 800.0 | nM | 6.1 | Concentration required to protect CEM/TK- cells against cytopathicity of HIV-2 b... | 10714505 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10714505 | 10.1016/s0960-894x(99)00701-5 | CCRF-CEM | 4 |
| 10714505 | 10.1016/s0960-894x(99)00701-5 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine