Compound Detail
CHEMBL313256
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
CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1cccc2ccccc12)C(C)C)C(=O)N(C)c1ccccn1
Basic Information
| ChEMBL ID | CHEMBL313256 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXFWCUNSMAPSMI-YELMNAATSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
796.0
MW (Da)
5.74
ALogP
8
HBA
5
HBD
178.6
PSA (Ų)
0.08
QED
2
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 300.0 | nM | 6.52 | Tested for the inhibition of p24 production in HIV-1 IIIB infected human periphe... | 8355256 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8355256 | 10.1021/jm00069a018 | Human immunodeficiency virus type 1 protease | 1 |
| 8355256 | 10.1021/jm00069a018 | CV-1 | 1 |
| 8355256 | 10.1021/jm00069a018 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine