Compound Detail
CHEMBL3621603
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Basic Information
| ChEMBL ID | CHEMBL3621603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOBSUSSADOZQJC-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
356.8
MW (Da)
3.97
ALogP
4
HBA
2
HBD
67.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.55
IC50 1 meas. best 10.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 10.43 | 10.43 | 0.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 9.55 | 9.33 | 0.3 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 2.2 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 0.037 | nM | 10.43 | Inhibition of HIV1 recombinant reverse transcriptase assessed as incorporation o... | - |
| Human immunodeficiency virus 1 | EC50 | = | 0.28 | nM | 9.55 | Antiviral activity against HIV1 3B infected in MT4 cells assessed as inhibition ... | - |
| Human immunodeficiency virus 1 | EC50 | = | 0.78 | nM | 9.11 | Antiviral activity against HIV1 RF infected in CEM-SS cells assessed as inhibiti... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C4MD00282B | Human immunodeficiency virus 1 | 2 |
| - | 10.1039/C4MD00282B | ADMET | 2 |
| - | 10.1039/C4MD00282B | CEM-SS | 1 |
| - | 10.1039/C4MD00282B | MT4 | 1 |
| - | 10.1039/C4MD00282B | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| - | 10.1039/C4MD00282B | Plasma | 1 |
Data from ChEMBL 36 via Core Engine