Compound Detail
CHEMBL2035978
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Basic Information
| ChEMBL ID | CHEMBL2035978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYHMVCKVDSKUKI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
475.6
MW (Da)
3.72
ALogP
8
HBA
3
HBD
118.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.06 | 7.01 | 8.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 8.64 | nM | 8.06 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as inhib... | 22591854 |
| Human immunodeficiency virus 1 | EC50 | = | 1110.0 | nM | 5.96 | Antiviral activity against HIV1 RES056 harboring reverse transcriptase K103N/Y18... | 22591854 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22591854 | 10.1016/j.bmc.2012.04.030 | Human immunodeficiency virus 1 | 3 |
| 22591854 | 10.1016/j.bmc.2012.04.030 | Unchecked | 2 |
| 22591854 | 10.1016/j.bmc.2012.04.030 | MT4 | 1 |
| 22591854 | 10.1016/j.bmc.2012.04.030 | Human immunodeficiency virus 2 | 1 |
Data from ChEMBL 36 via Core Engine