Compound Detail
CHEMBL106707
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COC(=S)CCCC=C(c1cc(Cl)c(OC)c(C(=S)OC)c1)c1cc(Cl)c(OC)c(C(=S)OC)c1
Basic Information
| ChEMBL ID | CHEMBL106707 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWWHDGHSHQDIDM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
573.6
MW (Da)
7.23
ALogP
8
HBA
0
HBD
46.1
PSA (Ų)
0.22
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.45 | 4.45 | 35400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | - | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 35400.0 | nM | 4.45 | Effective concentration required to inhibit cytopathicity of HIV-1(IIIB) in MT-4... | 15163195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15163195 | 10.1021/jm049916x | Human immunodeficiency virus 1 | 1 |
| 15163195 | 10.1021/jm049916x | Human immunodeficiency virus 2 | 1 |
| 15163195 | 10.1021/jm049916x | MT4 | 1 |
| 15163195 | 10.1021/jm049916x | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine