Compound Detail
CHEMBL33981
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Basic Information
| ChEMBL ID | CHEMBL33981 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANUSGJXVCFPWMQ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
263.4
MW (Da)
2.67
ALogP
3
HBA
2
HBD
37.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.05 | 6.05 | 900.0 | 3 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.89 | 5.89 | 1300.0 | 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 | = | 900.0 | nM | 6.05 | Inhibition of HIV-1 reverse transcriptase using rCdG as template and dGTP as sub... | 8523406 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 900.0 | nM | 6.05 | Antiviral activity was determined against HIV- 1 reverse transcriptase | 9873380 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 900.0 | nM | 6.05 | Inhibition of HIV-1 reverse transcriptase using and rCdC as template and tritium... | 26771245 |
| Human immunodeficiency virus 1 | IC50 | = | 1300.0 | nM | 5.89 | Concentration required to inhibit 50% viral production of human immunodeficiency... | 15801834 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8523406 | 10.1021/jm00025a010 | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
| 12086483 | 10.1021/jm010580q | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 9873380 | 10.1016/s0960-894x(98)00249-2 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 9873380 | 10.1016/s0960-894x(98)00249-2 | MT4 | 1 |
| 15801834 | 10.1021/jm049606e | Human immunodeficiency virus 1 | 1 |
| 17307357 | 10.1016/j.bmcl.2007.01.103 | Human immunodeficiency virus 1 | 1 |
| - | 10.1007/s00044-007-9087-7 | Human immunodeficiency virus 1 | 1 |
| 26771245 | 10.1016/j.ejmech.2015.12.022 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine