Compound Detail
CHEMBL370493
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
CC1(C)O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)C[C@@]1(O)CO
Basic Information
| ChEMBL ID | CHEMBL370493 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONSKSKMJNHEONW-XHCCPWGMSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
455.5
MW (Da)
4.09
ALogP
5
HBA
4
HBD
99.5
PSA (Ų)
0.32
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.1 | 7.1 | 79.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 4.0 | nM | 8.4 | Inhibition of baculovirus expressed human trkA | 15916429 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of baculovirus expressed human VEGFR2 | 15916429 |
| Unchecked | IC50 | = | 79.0 | nM | 7.1 | Inhibition of [gamma-32P]-ATP binding to protein kinase C (1.5 ng) done for 10 m... | 15916429 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15916429 | 10.1021/jm040178m | Unchecked | 2 |
| 15916429 | 10.1021/jm040178m | High affinity nerve growth factor receptor | 1 |
| 15916429 | 10.1021/jm040178m | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine