Compound Detail
CHEMBL4097283
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Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCC(NCc3cccc(C(F)(F)F)c3)CC2)nc2ccsc12
Basic Information
| ChEMBL ID | CHEMBL4097283 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJZLFGQABZGTLC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
551.6
MW (Da)
7.50
ALogP
7
HBA
2
HBD
82.9
PSA (Ų)
0.25
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.76 | 6.76 | 174.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 174.0 | nM | 6.76 | Antiviral activity against wild type HIV1 3B harboring reverse transcriptase inf... | 28481112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28481112 | 10.1021/acs.jmedchem.7b00332 | Unchecked | 8 |
| 28481112 | 10.1021/acs.jmedchem.7b00332 | Human immunodeficiency virus type 1 reverse transcriptase | 7 |
| 28481112 | 10.1021/acs.jmedchem.7b00332 | Human immunodeficiency virus 1 | 1 |
| 28481112 | 10.1021/acs.jmedchem.7b00332 | Human immunodeficiency virus 2 | 1 |
| 28481112 | 10.1021/acs.jmedchem.7b00332 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine