Compound Detail
CHEMBL316237
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
Cc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)Nc1cccc2ccccc12)[C@@H]3OC(=O)Nc1cccc2ccccc12
Basic Information
| ChEMBL ID | CHEMBL316237 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXCQDYNYNBZJBK-KKLWWLSJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
614.6
MW (Da)
8.49
ALogP
7
HBA
2
HBD
116.1
PSA (Ų)
0.19
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.01 | 4.01 | 98000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 98000.0 | nM | 4.01 | Anti-HIV activity in H9 lymphocytes. | 10411486 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10411486 | 10.1021/jm9900624 | Human immunodeficiency virus 1 | 1 |
| 10411486 | 10.1021/jm9900624 | H9 | 1 |
| 10411486 | 10.1021/jm9900624 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine