Compound Detail
CHEMBL3671320
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Cc1c2c(cc3[nH]c(-c4c(NC(C)Cc5c(F)c(F)cc(F)c5F)cc[nH]c4=O)nc13)C(=O)N(C1CCN(C)CC1)C2
Basic Information
| ChEMBL ID | CHEMBL3671320 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUSOUYHYDDCGIC-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
582.6
MW (Da)
4.88
ALogP
5
HBA
3
HBD
97.1
PSA (Ų)
0.22
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase ROS CHEMBL5568 | IC50 | 8.63 | 8.63 | 2.4 | 1 |
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 7.95 | 7.95 | 11.2 | 1 |
| Activin receptor type-1-like CHEMBL5311 | IC50 | 7.84 | 7.84 | 14.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase ROS | IC50 | = | 2.365 | nM | 8.63 | In Vitro Kinase Activity Assay: Compounds to be tested were dissolved in 100% DM... | - |
| High affinity nerve growth factor receptor | IC50 | = | 5.992 | nM | 8.22 | In Vitro Kinase Activity Assay: Compounds to be tested were dissolved in 100% DM... | - |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 11.15 | nM | 7.95 | In Vitro Kinase Activity Assay: Compounds to be tested were dissolved in 100% DM... | - |
| Activin receptor type-1-like | IC50 | = | 14.59 | nM | 7.84 | In Vitro Kinase Activity Assay: Compounds to be tested were dissolved in 100% DM... | - |
Data from ChEMBL 36 via Core Engine