Compound Detail
CHEMBL47203
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CN1CCN([C@H]2CC[C@@H](n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1
Basic Information
| ChEMBL ID | CHEMBL47203 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDVSOQRNTAPCHB-ZRZAMGCNSA-N |
10
Targets
10
Activities
1
Assay Types
7
PK Parameters
20
Publications
0
Known Names
Molecular Properties
482.6
MW (Da)
5.20
ALogP
7
HBA
1
HBD
72.4
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Tyrosine-protein kinase Lyn CHEMBL3905 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| Tyrosine-protein kinase CSK CHEMBL2634 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
| Tyrosine-protein kinase Blk CHEMBL2250 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
| Tyrosine-protein kinase Fyn CHEMBL1841 | IC50 | 7.23 | 7.23 | 59.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.92 | 5.92 | 1190.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 661.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 88.33 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 113.0 | nM | Rattus norvegicus |
| F | 54.0 | % | Rattus norvegicus |
| T1/2 | 14.3 | hr | Rattus norvegicus |
| Tmax | 4.0 | hr | Rattus norvegicus |
| Vd | 140.0 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine