Compound Detail
CHEMBL306974
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
COC(=O)c1nc(Cl)c(N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)[C@H]2CCOC2)nc1N
Basic Information
| ChEMBL ID | CHEMBL306974 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCKITJOWWCXRAD-DCZJRQIWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
714.3
MW (Da)
3.20
ALogP
11
HBA
5
HBD
181.0
PSA (Ų)
0.20
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | IC50 | 9.8 | 9.8 | 0.2 | 1 |
| Human immunodeficiency virus type 2 pol protein CHEMBL5074 | IC50 | 7.6 | 7.6 | 24.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | IC50 | = | 0.16 | nM | 9.8 | Tested for inhibitory concentration against HIV-1 protease | 8360874 |
| Human immunodeficiency virus type 2 pol protein | IC50 | = | 24.9 | nM | 7.6 | Tested for inhibitory concentration against HIV-2 protease | 8360874 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8360874 | 10.1021/jm00068a006 | Human immunodeficiency virus type 1 protease | 2 |
| 8360874 | 10.1021/jm00068a006 | Human immunodeficiency virus type 2 pol protein | 1 |
Data from ChEMBL 36 via Core Engine