Compound Detail
CHEMBL1823514
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CCOC(=O)[C@H](C)NP(=O)(CO[C@H](CF)Cn1cnc2c(NC3CC3)nc(N)nc21)N[C@@H](C)C(=O)OCC
Basic Information
| ChEMBL ID | CHEMBL1823514 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUWWDJRUBSHZKD-OFQRWUPVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
558.5
MW (Da)
1.57
ALogP
12
HBA
4
HBD
184.6
PSA (Ų)
0.17
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.97 | 4.97 | 10730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 10730.0 | nM | 4.97 | Antiviral activity against HIV1 3B infected in human MT-2 cells assessed as redu... | 21664011 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21664011 | 10.1016/j.ejmech.2011.05.040 | Unchecked | 2 |
| 21664011 | 10.1016/j.ejmech.2011.05.040 | Human immunodeficiency virus 1 | 1 |
| 21664011 | 10.1016/j.ejmech.2011.05.040 | MT2 | 1 |
Data from ChEMBL 36 via Core Engine