Compound Detail
CHEMBL3938729
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Basic Information
| ChEMBL ID | CHEMBL3938729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APGJDGUNUMWBON-RNFRBKRXSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
315.2
MW (Da)
-0.15
ALogP
8
HBA
3
HBD
145.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.3 | 5.6367 | 500.0 | 3 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 500.0 | nM | 6.3 | Antiviral activity against HBV ayw1 infected in human HepG2(2.2.15) cells assess... | 27748590 |
| Human immunodeficiency virus 1 | EC50 | = | 2500.0 | nM | 5.6 | Anti-HIV activity against HIV-1 3B infected in human MT4 cells assessed as prote... | 34000485 |
| Unchecked | EC50 | = | 2500.0 | nM | 5.6 | Anti-HIV activity against HIV-2 isolate ROD infected in human MT4 cells assessed... | 34000485 |
| NON-PROTEIN TARGET | EC50 | = | 4690.0 | nM | 5.33 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as prote... | 27748590 |
| NON-PROTEIN TARGET | EC50 | = | 5230.0 | nM | 5.28 | Antiviral activity against HIV2 ROD infected in human MT4 cells assessed as prot... | 27748590 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27748590 | 10.1021/acs.jmedchem.6b01260 | NON-PROTEIN TARGET | 6 |
| 27748590 | 10.1021/acs.jmedchem.6b01260 | Unchecked | 2 |
| 27748590 | 10.1021/acs.jmedchem.6b01260 | ADMET | 1 |
| 33191744 | 10.1021/acs.jmedchem.0c01381 | ADMET | 1 |
| 34000485 | 10.1016/j.ejmech.2021.113513 | Human immunodeficiency virus 1 | 1 |
| 34000485 | 10.1016/j.ejmech.2021.113513 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine