Compound Detail
CHEMBL3621604
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Basic Information
| ChEMBL ID | CHEMBL3621604 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMCACCZPLBMCCH-QVIHXGFCSA-N |
2
Targets
3
Activities
2
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
499.0
MW (Da)
8.11
ALogP
8
HBA
1
HBD
78.9
PSA (Ų)
0.25
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.52
IC50 1 meas. best 10.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 10.72 | 10.72 | 0.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 9.52 | 9.395 | 0.3 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 4.417 | 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 | = | 0.019 | nM | 10.72 | Inhibition of HIV1 recombinant reverse transcriptase assessed as incorporation o... | - |
| Human immunodeficiency virus 1 | EC50 | = | 0.3 | nM | 9.52 | Antiviral activity against HIV1 3B infected in MT4 cells assessed as inhibition ... | - |
| Human immunodeficiency virus 1 | EC50 | = | 0.54 | nM | 9.27 | 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