Compound Detail
CHEMBL4294069
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
Basic Information
| ChEMBL ID | CHEMBL4294069 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEPXBNVPQCXJGJ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4301489 |
| Active Moiety | CHEMBL4301489 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
558.3
MW (Da)
4.43
ALogP
6
HBA
4
HBD
136.7
PSA (Ų)
0.17
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pneumocystis carinii CHEMBL613064 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.58 | 4.58 | 26300.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.53 | 4.53 | 29500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pneumocystis carinii | IC50 | = | 36.0 | nM | 7.44 | Antipneumocystis activity against Pneumocystis carinii after 24 to 72 hrs by ATP... | 30108719 |
| A549 | IC50 | = | 26300.0 | nM | 4.58 | Cytotoxicity against human A549 cells assessed as decrease in cell viability aft... | 30108719 |
| Unchecked | IC50 | = | 29500.0 | nM | 4.53 | Cytotoxicity against rat L2 cells assessed as decrease in cell viability after 2... | 30108719 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108719 | 10.1039/C7MD00445A | Pneumocystis carinii | 2 |
| 30108719 | 10.1039/C7MD00445A | A549 | 1 |
| 30108719 | 10.1039/C7MD00445A | Unchecked | 1 |
| 30108719 | 10.1039/C7MD00445A | Luciferin 4-monooxygenase | 1 |
Data from ChEMBL 36 via Core Engine