Compound Detail
CHEMBL3786634
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Nc1ncnc2c1c(-c1cccc(OCC34CCC(CC3)O4)c1)cn2[C@H]1C[C@@H](CN2CC[S+]([O-])CC2)C1
Basic Information
| ChEMBL ID | CHEMBL3786634 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBQODGRJHHJAEC-MDSHCDAHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
521.7
MW (Da)
3.79
ALogP
8
HBA
1
HBD
101.5
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 7.68 | 7.435 | 21.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 21.0 | nM | 7.68 | Inhibition of full length IGF-1 receptor (unknown origin) transfected in Ba/F3 c... | 26951753 |
| Insulin-like growth factor 1 receptor | IC50 | = | 64.0 | nM | 7.19 | Inhibition of full length IGF-1 receptor (unknown origin) autophosphorylation tr... | 26951753 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26951753 | 10.1016/j.bmcl.2016.02.075 | Insulin-like growth factor 1 receptor | 3 |
| 26951753 | 10.1016/j.bmcl.2016.02.075 | ADMET | 3 |
| 26951753 | 10.1016/j.bmcl.2016.02.075 | No relevant target | 1 |
| 26951753 | 10.1016/j.bmcl.2016.02.075 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 26951753 | 10.1016/j.bmcl.2016.02.075 | Liver microsome | 1 |
| 26951753 | 10.1016/j.bmcl.2016.02.075 | Molecular identity unknown | 1 |
Data from ChEMBL 36 via Core Engine