Compound Detail
CHEMBL3961098
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CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(CCNCCOC)c4)cc2)CC3)n1
Basic Information
| ChEMBL ID | CHEMBL3961098 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXDLJCXLOFTQOJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
538.7
MW (Da)
3.70
ALogP
11
HBA
2
HBD
112.5
PSA (Ų)
0.24
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 9.96 | 9.96 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 0.11 | nM | 9.96 | DELFIA Assay: The kinase activity is measured by DELFIA assay (dissociation-enha... | - |
Data from ChEMBL 36 via Core Engine