Compound Detail
CHEMBL97745
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Basic Information
| ChEMBL ID | CHEMBL97745 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMBPFDAIUFGFNC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
1.27
ALogP
5
HBA
2
HBD
84.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | EC50 | 7.89 | 7.89 | 13.0 | 1 |
| ADMET CHEMBL612558 | EC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | EC50 | = | 13.0 | nM | 7.89 | Effective concentration required to achieve 50% protection of MT-4 cells against... | 7636846 |
| Human immunodeficiency virus type 1 reverse transcriptase | EC50 | = | 13.0 | nM | 7.89 | Inhibitory concentration against HIV-1 reverse transcriptase | 9435895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7636846 | 10.1021/jm00015a008 | ADMET | 1 |
| 7636846 | 10.1021/jm00015a008 | MT4 | 1 |
| 9435895 | 10.1021/jm970110p | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine