Compound Detail
CHEMBL290254
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
Cc1n[nH]c2ccc(CN3C(=O)N(Cc4ccc5[nH]nc(C)c5c4)[C@H](Cc4ccccc4)[C@H](O)[C@H]3CCc3ccccc3)cc12
Basic Information
| ChEMBL ID | CHEMBL290254 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCGUXOJCMTXXSP-KUFDTJSHSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
598.8
MW (Da)
6.47
ALogP
4
HBA
3
HBD
101.1
PSA (Ų)
0.18
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | Ki | 10.0 | 10.0 | 0.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | Ki | = | 0.1 | nM | 10.0 | Inhibition constant of HIV protease inhibitors | 9888839 |
| Human immunodeficiency virus type 1 protease | Ki | = | 0.1 | nM | 10.0 | Inhibitory activity against HIV-1 protease | 11831910 |
| Human immunodeficiency virus type 1 protease | Ki | = | 0.1 | nM | 10.0 | Inhibitory activity of compound against HIV-1 aspartyl protease. | 12419382 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9888839 | 10.1021/jm9803626 | Human immunodeficiency virus type 1 protease | 1 |
| 9888839 | 10.1021/jm9803626 | MT2 | 1 |
| 11831910 | 10.1021/jm010417v | Human immunodeficiency virus type 1 protease | 1 |
| 12419382 | 10.1016/s0960-894x(02)00741-2 | Human immunodeficiency virus type 1 protease | 1 |
Data from ChEMBL 36 via Core Engine