Compound Detail
CHEMBL132491
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Basic Information
| ChEMBL ID | CHEMBL132491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWOGACPKMAWKNQ-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
471.6
MW (Da)
2.82
ALogP
6
HBA
2
HBD
107.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.85
EC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.85 | 5.66 | 140.0 | 3 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.52 | 5.52 | 3000.0 | 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 | = | 140.0 | nM | 6.85 | Inhibition of Reverse transcriptase (Wild Type) with poly(rA)600:oligo(dT)10 tem... | 10514284 |
| Human immunodeficiency virus 1 | EC50 | = | 3000.0 | nM | 5.52 | Antiviral activity against BHAP-resistant viral strain HIV-1 MF using Delaviridi... | 10514284 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 6800.0 | nM | 5.17 | Inhibition of Reverse transcriptase (P236L) using poly(rA)600:oligo(dT)10 as tem... | 10514284 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 11000.0 | nM | 4.96 | 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 |
| 10514284 | 10.1021/jm990051a | Human immunodeficiency virus 1 | 2 |
Data from ChEMBL 36 via Core Engine