Compound Detail
CHEMBL1627246
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)(C)NC(=O)[C@H]1CN(Cc2cccnc2)CCN1C[S+](=N)([O-])C[C@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL1627246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTJYYEJFCDSKDN-BHZMAMKDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
646.9
MW (Da)
3.12
ALogP
8
HBA
4
HBD
144.7
PSA (Ų)
0.23
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protease CHEMBL2366517 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protease | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of HIV1 protease | 18829317 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18829317 | 10.1016/j.bmcl.2008.09.044 | Protease | 1 |
Data from ChEMBL 36 via Core Engine