Compound Detail
CHEMBL2170300
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Basic Information
| ChEMBL ID | CHEMBL2170300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CAAWJPKOKADKRS-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
414.7
MW (Da)
4.39
ALogP
4
HBA
2
HBD
30.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.72 | 7.29 | 19.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 19.0 | nM | 7.72 | Antiviral activity against HIV1 infected in MT4 cells expressing CXCR4 assessed ... | 22909088 |
| Human immunodeficiency virus 1 | EC50 | = | 19.3 | nM | 7.71 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as inhib... | 29500940 |
| Human immunodeficiency virus 1 | EC50 | = | 362.0 | nM | 6.44 | Antiviral activity against HIV1 infected in human MT4 cells assessed as protecti... | 28826086 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22909088 | 10.1021/jm300862u | MT4 | 1 |
| 22909088 | 10.1021/jm300862u | Human immunodeficiency virus 1 | 1 |
| 28826086 | 10.1016/j.ejmech.2017.08.027 | Human immunodeficiency virus 1 | 1 |
| 29500940 | 10.1016/j.ejmech.2018.02.043 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine