Compound Detail
CHEMBL286759
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Basic Information
| ChEMBL ID | CHEMBL286759 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEAXPFZOFZLHLQ-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
302.8
MW (Da)
4.07
ALogP
2
HBA
2
HBD
58.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.7
IC50 3 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | IC50 | 7.85 | 6.5567 | 14.0 | 3 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.7 | 7.7 | 20.0 | 2 |
| MT4 CHEMBL388 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | IC50 | = | 14.0 | nM | 7.85 | Inhibition of HIV-1 RT using rC-dG as template | 7683725 |
| Human immunodeficiency virus 1 | EC50 | = | 20.0 | nM | 7.7 | Anti-HIV activity protecting MT-4 cells from HIV-1 induced cytopathogenicity | 12773052 |
| MT4 | EC50 | = | 20.0 | nM | 7.7 | Protection of infected MT-4 cells from wtIIIB-HIV-1-induced cytopathogenicity | 15634015 |
| Human immunodeficiency virus 1 | EC50 | = | 20.0 | nM | 7.7 | Antiviral activity against HIV1 | 16722636 |
| Human immunodeficiency virus type 1 protease | IC50 | = | 1040.0 | nM | 5.98 | Compound is evaluated in vitro for the inhibition single mutant of HIV-1 RT (Y18... | 7683725 |
| Human immunodeficiency virus type 1 protease | IC50 | = | 1460.0 | nM | 5.84 | Compound is evaluated in vitro for the inhibition single mutant of HIV-1 RT (K10... | 7683725 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7683725 | 10.1021/jm00061a022 | Human immunodeficiency virus type 1 protease | 3 |
| 12773052 | 10.1021/jm0211063 | Human immunodeficiency virus 1 | 2 |
| 12773052 | 10.1021/jm0211063 | MT4 | 1 |
| 7683725 | 10.1021/jm00061a022 | MT4 | 1 |
| 15634015 | 10.1021/jm040854k | MT4 | 1 |
| 16722636 | 10.1021/jm0512490 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine