Compound Detail
CHEMBL3977553
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O=C(NCc1cn[nH]c1)c1cc(NC(=O)c2cc(-c3ncccc3F)c(F)cc2Cl)n(-c2ccccc2)n1
Basic Information
| ChEMBL ID | CHEMBL3977553 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIYIEMTXZQYTET-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
533.9
MW (Da)
4.77
ALogP
6
HBA
3
HBD
117.6
PSA (Ų)
0.28
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 8.71 | 8.71 | 1.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 1.936 | nM | 8.71 | Cell Based Assay: TRKA co-expressed with p75: The assays are based upon DiscoveR... | - |
| High affinity nerve growth factor receptor | IC50 | = | 1.936 | nM | 8.71 | Cell Based Assay: TRKA co-expressed with p75: The assays are based upon DiscoveR... | - |
Data from ChEMBL 36 via Core Engine