Compound Detail
CHEMBL256073
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CCn1cnc(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(N4CCOCC4)cc3[nH]2)c1Cl
Basic Information
| ChEMBL ID | CHEMBL256073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYELYIDXPPVKAW-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
482.0
MW (Da)
3.59
ALogP
7
HBA
3
HBD
103.9
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 7.08 | 6.83 | 83.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 24533291.0 | ng.hr.mL-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 83.0 | nM | 7.08 | Inhibition of IGF1R | 18258427 |
| Insulin-like growth factor 1 receptor | IC50 | = | 83.0 | nM | 7.08 | Inhibition of human recombinant IGF-1R tyrosine kinase expressed in baculovirus ... | 20153189 |
| Insulin-like growth factor 1 receptor | IC50 | = | 469.0 | nM | 6.33 | Inhibition of IGF1R expressed in SAL cells | 18258427 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18258427 | 10.1016/j.bmcl.2008.01.049 | Insulin-like growth factor 1 receptor | 2 |
| 18258427 | 10.1016/j.bmcl.2008.01.049 | Mus musculus | 1 |
| 20153189 | 10.1016/j.bmcl.2010.01.087 | Insulin-like growth factor 1 receptor | 1 |
| 20153189 | 10.1016/j.bmcl.2010.01.087 | Nuclear receptor subfamily 1 group I member 2 | 1 |
Data from ChEMBL 36 via Core Engine