Compound Detail
CHEMBL2037213
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
O=C1Nc2cc(Nc3cccc(NC(=O)c4cc(N5CCC(O)CC5)cc(C(F)(F)F)c4)c3)ccc2/C1=C/c1ccc[nH]1
Basic Information
| ChEMBL ID | CHEMBL2037213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYEUXZLSMOOOKC-QRQIAZFYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
587.6
MW (Da)
6.48
ALogP
5
HBA
5
HBD
109.5
PSA (Ų)
0.17
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.72 | 7.235 | 19.0 | 4 |
| BDNF/NT-3 growth factors receptor CHEMBL4898 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 3.0 | nM | 8.52 | Inhibition of TRKA by HTRF assay | 24900443 |
| NON-PROTEIN TARGET | IC50 | = | 19.0 | nM | 7.72 | Antiproliferative activity against mouse BA/F3 cells expressing Tel-TRKB | 24900443 |
| NON-PROTEIN TARGET | IC50 | = | 29.0 | nM | 7.54 | Antiproliferative activity against mouse BA/F3 cells expressing Tel-TRKC | 24900443 |
| NON-PROTEIN TARGET | IC50 | = | 34.0 | nM | 7.47 | Antiproliferative activity against mouse BA/F3 cells expressing Tel-TRKA | 24900443 |
| BDNF/NT-3 growth factors receptor | IC50 | = | 60.0 | nM | 7.22 | Inhibition of TRKB by HTRF assay | 24900443 |
| NON-PROTEIN TARGET | IC50 | = | 610.0 | nM | 6.21 | Antiproliferative activity against mouse BA/F3 cells expressing Tel-KDR | 24900443 |
| ADMET | IC50 | = | 4900.0 | nM | 5.31 | Antiproliferative activity against wild type mouse BA/F3 cells in presence of IL... | 24900443 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900443 | 10.1021/ml200261d | NON-PROTEIN TARGET | 4 |
| 24900443 | 10.1021/ml200261d | BDNF/NT-3 growth factors receptor | 1 |
| 24900443 | 10.1021/ml200261d | High affinity nerve growth factor receptor | 1 |
| 24900443 | 10.1021/ml200261d | ADMET | 1 |
Data from ChEMBL 36 via Core Engine