Compound Detail
CHEMBL3671317
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CC(Cc1cc(F)ccc1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(CCN(C)C)C3=O
Basic Information
| ChEMBL ID | CHEMBL3671317 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQAMVBJCWLPNJI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
520.5
MW (Da)
3.40
ALogP
6
HBA
3
HBD
114.2
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 7.76 | 7.76 | 17.5 | 1 |
| Activin receptor type-1-like CHEMBL5311 | IC50 | 7.41 | 7.41 | 38.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 17.48 | nM | 7.76 | In Vitro Kinase Activity Assay: Compounds to be tested were dissolved in 100% DM... | - |
| Activin receptor type-1-like | IC50 | = | 38.86 | nM | 7.41 | In Vitro Kinase Activity Assay: Compounds to be tested were dissolved in 100% DM... | - |
Data from ChEMBL 36 via Core Engine