Compound Detail
CHEMBL57590
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
CCc1c(C)nc(O)c(NC(=O)CCCC(=O)NCCCCNC(=O)CCOCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2N=[N+]=[N-])c1Cc1cc(C)cc(C)c1
Basic Information
| ChEMBL ID | CHEMBL57590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRJUYARVYJTXIC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
775.9
MW (Da)
4.22
ALogP
11
HBA
5
HBD
242.5
PSA (Ų)
0.05
QED
2
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | EC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | EC50 | = | 25000.0 | nM | 4.6 | Effective concentration required to achieve 50% inhibition of HIV-1 LAI replicat... | 10821705 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10821705 | 10.1021/jm991125l | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
Data from ChEMBL 36 via Core Engine