Compound Detail
CHEMBL34010
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CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NC(=O)C(F)(F)F)ccc3[nH]2)CC1
Basic Information
| ChEMBL ID | CHEMBL34010 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQWZRCANSWEHQR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
474.5
MW (Da)
3.85
ALogP
5
HBA
3
HBD
93.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 27000.0 | nM | 4.57 | In vitro inhibition of HIV-1 reverse transcriptase | 7684450 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7684450 | 10.1021/jm00062a027 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 7684450 | 10.1021/jm00062a027 | Human immunodeficiency virus 1 | 2 |
| 7684450 | 10.1021/jm00062a027 | MT2 | 1 |
| 7684450 | 10.1021/jm00062a027 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine