Compound Detail
CHEMBL179744
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
CCc1c(Cc2cc(C)cc(C)c2)n(COC/C=C/c2ccc(OC(=O)c3ccccc3)cc2)c(=O)[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL179744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJRPIRYOSNDPIR-CMDGGOBGSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
524.6
MW (Da)
5.21
ALogP
6
HBA
1
HBD
90.4
PSA (Ų)
0.17
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.3 | 7.15 | 5.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 5.0 | nM | 8.3 | Effective concentration of compound to inhibit human immunodeficiency virus HIV-... | 15715487 |
| Human immunodeficiency virus 1 | EC50 | = | 1000.0 | nM | 6.0 | Effective concentration of compound to inhibit human immunodeficiency virus HIV-... | 15715487 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15715487 | 10.1021/jm040845b | Human immunodeficiency virus 1 | 3 |
| 15715487 | 10.1021/jm040845b | MT4 | 1 |
Data from ChEMBL 36 via Core Engine