Compound Detail
CHEMBL295978
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Basic Information
| ChEMBL ID | CHEMBL295978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFDCRGXMKWFGHX-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
293.3
MW (Da)
2.81
ALogP
6
HBA
0
HBD
56.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.59 | 6.3433 | 258.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 258.0 | nM | 6.59 | Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of t... | - |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 600.0 | nM | 6.22 | Inhibitory activity against HIV-1 reverse transcriptase | 8648604 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 598.0 | nM | 6.22 | Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of t... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80468-0 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| - | 10.1016/S0960-894X(00)80468-0 | H9 | 2 |
| 8648604 | 10.1021/jm9508088 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| - | 10.1016/S0960-894X(00)80468-0 | C8166 | 1 |
Data from ChEMBL 36 via Core Engine