Compound Detail
CHEMBL4449262
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
COc1ccc(CCc2nnc(-c3ccc(OCC(=O)Nc4cnn(C)c4)cc3)n2Cc2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL4449262 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIPZRFBGQCGNQT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
522.6
MW (Da)
4.54
ALogP
8
HBA
1
HBD
96.1
PSA (Ų)
0.27
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta CHEMBL3860 | IC50 | 7.39 | 7.39 | 40.9 | 1 |
| A549 CHEMBL392 | IC50 | 4.62 | 4.62 | 24100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | IC50 | = | 40.9 | nM | 7.39 | Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Esch... | 30562696 |
| A549 | IC50 | = | 24100.0 | nM | 4.62 | Antiproliferative activity against human A549 cells harboring KRAS G12S point mu... | 30562696 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30562696 | 10.1016/j.ejmech.2018.12.018 | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | 1 |
| 30562696 | 10.1016/j.ejmech.2018.12.018 | A549 | 1 |
Data from ChEMBL 36 via Core Engine