Compound Detail
CHEMBL1999749
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COc1cc(Nc2ncnc3ccc(-c4ccc(CN5CC6C(CO)C6C5)cc4)cc23)ccc1Oc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL1999749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZZXMNBOPNKKSX-UHFFFAOYSA-N |
13
Targets
13
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
544.7
MW (Da)
6.51
ALogP
7
HBA
2
HBD
79.7
PSA (Ų)
0.22
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 13 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | Ki | 8.8 | 8.8 | 1.6 | 1 |
| Tyrosine-protein kinase Fyn CHEMBL1841 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| Epidermal growth factor receptor CHEMBL203 | Ki | 8.2 | 8.2 | 6.3 | 1 |
| Tyrosine-protein kinase Blk CHEMBL2250 | Ki | 7.9 | 7.9 | 12.6 | 1 |
| Receptor tyrosine-protein kinase erbB-4 CHEMBL3009 | Ki | 7.8 | 7.8 | 15.8 | 1 |
| Tyrosine-protein kinase Lyn CHEMBL3905 | Ki | 7.2 | 7.2 | 63.1 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | Ki | 6.5 | 6.5 | 316.2 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | Ki | 6.4 | 6.4 | 398.1 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | Ki | 6.3 | 6.3 | 501.2 | 1 |
| Serine/threonine-protein kinase D2 CHEMBL4900 | Ki | 6.3 | 6.3 | 501.2 | 1 |
| Serine/threonine-protein kinase Chk2 CHEMBL2527 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
| Protein kinase C delta type CHEMBL2996 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
| Protein kinase C gamma type CHEMBL2938 | Ki | 5.1 | 5.1 | 7943.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine