Compound Detail
CHEMBL3963962
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Nc1cc(CNC(=O)c2cc(NC(=O)c3cc(-c4ccccn4)c(Cl)cc3Cl)n(-c3ccccc3)n2)ccn1
Basic Information
| ChEMBL ID | CHEMBL3963962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJAXVBYXGQEASX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
558.4
MW (Da)
5.40
ALogP
7
HBA
3
HBD
127.8
PSA (Ų)
0.25
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 8.93 | 8.93 | 1.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 1.17 | nM | 8.93 | Cell Based Assay: TRKA co-expressed with p75: The assays are based upon DiscoveR... | - |
| High affinity nerve growth factor receptor | IC50 | = | 1.17 | nM | 8.93 | Cell Based Assay: TRKA co-expressed with p75: The assays are based upon DiscoveR... | - |
Data from ChEMBL 36 via Core Engine