Compound Detail
CHEMBL3980941
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CN1CCN(C(=O)c2cc(Nc3cc(C4CC4)[nH]n3)nc(NCc3cc(-c4ccccc4)no3)n2)CC1
Basic Information
| ChEMBL ID | CHEMBL3980941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKIYEUWHLCIHHH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
499.6
MW (Da)
3.48
ALogP
9
HBA
3
HBD
128.1
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 50.0 | nM | 7.3 | Inhibition of human IGF1R kinase domain (M954 to C1367 residues) un-phosphorylat... | - |
Data from ChEMBL 36 via Core Engine