Compound Detail
CHEMBL3642590
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COc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(CCC(C)=O)CC4)cc3)n2)c1
Basic Information
| ChEMBL ID | CHEMBL3642590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGIKOISUWMDOMB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
497.6
MW (Da)
4.90
ALogP
7
HBA
2
HBD
100.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ZAP-70 CHEMBL2803 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ZAP-70 | IC50 | = | 8.0 | nM | 8.1 | Enzyme Assay: Homogenous time-resolved fluorescence assay using Syk enzyme. | - |
Data from ChEMBL 36 via Core Engine