Compound Detail
CHEMBL3671318
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(Cc1cc(F)ccc1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(CCN(C)C)C3
Basic Information
| ChEMBL ID | CHEMBL3671318 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNPMMVDYMYENIM-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
3.76
ALogP
5
HBA
3
HBD
97.1
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase ROS CHEMBL5568 | IC50 | 9.16 | 9.16 | 0.7 | 1 |
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 8.36 | 8.36 | 4.3 | 1 |
| Activin receptor type-1-like CHEMBL5311 | IC50 | 8.04 | 8.04 | 9.2 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 7.88 | 7.88 | 13.1 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase ROS | IC50 | = | 0.688 | nM | 9.16 | In Vitro Kinase Activity Assay: Compounds to be tested were dissolved in 100% DM... | - |
| High affinity nerve growth factor receptor | IC50 | = | 4.334 | nM | 8.36 | In Vitro Kinase Activity Assay: Compounds to be tested were dissolved in 100% DM... | - |
| Activin receptor type-1-like | IC50 | = | 9.157 | nM | 8.04 | In Vitro Kinase Activity Assay: Compounds to be tested were dissolved in 100% DM... | - |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 13.07 | nM | 7.88 | In Vitro Kinase Activity Assay: Compounds to be tested were dissolved in 100% DM... | - |
| Hepatocyte growth factor receptor | IC50 | = | 2000.0 | nM | 5.7 | In Vitro Kinase Activity Assay: Compounds to be tested were dissolved in 100% DM... | - |
Data from ChEMBL 36 via Core Engine