Compound Detail
CHEMBL3671311
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C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(CCN(C)C)C3=O
Basic Information
| ChEMBL ID | CHEMBL3671311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRJJEMRURFIKDD-ZDUSSCGKSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
542.5
MW (Da)
4.04
ALogP
5
HBA
3
HBD
97.1
PSA (Ų)
0.23
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase ROS CHEMBL5568 | IC50 | 9.69 | 9.69 | 0.2 | 1 |
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 8.94 | 8.94 | 1.1 | 1 |
| NT-3 growth factor receptor CHEMBL5608 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
| BDNF/NT-3 growth factors receptor CHEMBL4898 | IC50 | 8.69 | 8.69 | 2.1 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 8.45 | 8.45 | 3.5 | 1 |
| Activin receptor type-1-like CHEMBL5311 | IC50 | 8.33 | 8.33 | 4.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase ROS | IC50 | = | 0.205 | nM | 9.69 | In Vitro Kinase Activity Assay: Compounds to be tested were dissolved in 100% DM... | - |
| High affinity nerve growth factor receptor | IC50 | = | 1.141 | nM | 8.94 | In Vitro Kinase Activity Assay: Compounds to be tested were dissolved in 100% DM... | - |
| NT-3 growth factor receptor | IC50 | = | 1.585 | nM | 8.8 | In Vitro Kinase Activity Assay: Compounds to be tested were dissolved in 100% DM... | - |
| BDNF/NT-3 growth factors receptor | IC50 | = | 2.064 | nM | 8.69 | In Vitro Kinase Activity Assay: Compounds to be tested were dissolved in 100% DM... | - |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 3.527 | nM | 8.45 | In Vitro Kinase Activity Assay: Compounds to be tested were dissolved in 100% DM... | - |
| Activin receptor type-1-like | IC50 | = | 4.701 | nM | 8.33 | In Vitro Kinase Activity Assay: Compounds to be tested were dissolved in 100% DM... | - |
Data from ChEMBL 36 via Core Engine