Compound Detail
CHEMBL3671310
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C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(CCN(C)C)C3=O
Basic Information
| ChEMBL ID | CHEMBL3671310 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPMQHTABGLRCQK-LBPRGKRZSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
556.5
MW (Da)
3.68
ALogP
6
HBA
3
HBD
114.2
PSA (Ų)
0.17
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase ROS CHEMBL5568 | IC50 | 9.36 | 9.36 | 0.4 | 1 |
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 7.91 | 7.91 | 12.2 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Activin receptor type-1-like CHEMBL5311 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 7.59 | 7.59 | 25.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase ROS | IC50 | = | 0.436 | nM | 9.36 | In Vitro Kinase Activity Assay: Compounds to be tested were dissolved in 100% DM... | - |
| High affinity nerve growth factor receptor | IC50 | = | 12.24 | nM | 7.91 | In Vitro Kinase Activity Assay: Compounds to be tested were dissolved in 100% DM... | - |
| Activin receptor type-1-like | IC50 | = | 14.03 | nM | 7.85 | In Vitro Kinase Activity Assay: Compounds to be tested were dissolved in 100% DM... | - |
| Hepatocyte growth factor receptor | IC50 | = | 14.03 | nM | 7.85 | In Vitro Kinase Activity Assay: Compounds to be tested were dissolved in 100% DM... | - |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 25.82 | nM | 7.59 | In Vitro Kinase Activity Assay: Compounds to be tested were dissolved in 100% DM... | - |
Data from ChEMBL 36 via Core Engine