Compound Detail
CHEMBL336635
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Basic Information
| ChEMBL ID | CHEMBL336635 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGLHQQJIAXWDRG-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
455.6
MW (Da)
3.24
ALogP
5
HBA
2
HBD
98.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.21 | 6.29 | 61.0 | 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 | = | 61.0 | nM | 7.21 | Inhibition of Reverse transcriptase (Wild Type) with poly(rA)600:oligo(dT)10 tem... | 10514284 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of Reverse transcriptase (P236L) using poly(rA)600:oligo(dT)10 as tem... | 10514284 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of Reverse transcriptase (Y181C) using poly(rA)600:oligo(dT)10 as tem... | 10514284 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10514284 | 10.1021/jm990051a | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
Data from ChEMBL 36 via Core Engine