Compound Detail
CHEMBL5802500
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COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccc(C)cc4)c4ccccc34)n2)cc(SCCO)c1
Basic Information
| ChEMBL ID | CHEMBL5802500 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNSRIXGBOYZSBO-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
689.8
MW (Da)
8.69
ALogP
10
HBA
4
HBD
135.4
PSA (Ų)
0.10
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
| Mitogen-activated protein kinase 12 CHEMBL4674 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 5.91 | 5.91 | 1230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 23.0 | nM | 7.64 | Enzyme Inhibition Assay: c-Src and Syk Enzyme InhibitionThe inhibitory activitie... | - |
| Tyrosine-protein kinase SYK | IC50 | = | 42.0 | nM | 7.38 | Enzyme Inhibition Assay: c-Src and Syk Enzyme InhibitionThe inhibitory activitie... | - |
| Mitogen-activated protein kinase 12 | IC50 | = | 200.0 | nM | 6.7 | Enzyme Inhibition Assay: The inhibitory activities of compounds of the invention... | - |
| Glycogen synthase kinase-3 alpha | IC50 | = | 1230.0 | nM | 5.91 | Enzyme Inhibition Assay: The inhibitory activities of compounds of the invention... | - |
Data from ChEMBL 36 via Core Engine