Compound Detail
CHEMBL240769
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL240769 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKKVIBRHOFYYQF-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
307.3
MW (Da)
1.48
ALogP
4
HBA
1
HBD
58.2
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.16
EC50 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.68 | 6.68 | 211.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | Ki | 6.16 | 5.5067 | 700.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 211.0 | nM | 6.68 | Antiviral activity against HIV1 NL43 in MT4 cells assessed as inhibition of vira... | 17910429 |
| Human immunodeficiency virus type 1 reverse transcriptase | Ki | = | 700.0 | nM | 6.16 | Inhibition of wild type HIV1 3B reverse transcriptase | 17910429 |
| Human immunodeficiency virus type 1 reverse transcriptase | Ki | = | 2900.0 | nM | 5.54 | Inhibition of HIV1 reverse transcriptase V106A mutant | 17910429 |
| Human immunodeficiency virus type 1 reverse transcriptase | Ki | = | 15000.0 | nM | 4.82 | Inhibition of HIV1 reverse transcriptase L100I mutant | 17910429 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17910429 | 10.1021/jm070811e | Human immunodeficiency virus 1 | 5 |
| 17910429 | 10.1021/jm070811e | Human immunodeficiency virus type 1 reverse transcriptase | 5 |
| 17910429 | 10.1021/jm070811e | Unchecked | 4 |
| 17910429 | 10.1021/jm070811e | MT4 | 1 |
Data from ChEMBL 36 via Core Engine