Compound Detail
CHEMBL257115
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Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCCn4cc(Br)c(CO)n4)cc[nH]c3=O)nc12
Basic Information
| ChEMBL ID | CHEMBL257115 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXZCWEOQFKZEKJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
528.4
MW (Da)
2.63
ALogP
8
HBA
4
HBD
124.1
PSA (Ų)
0.29
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 7.02 | 6.59 | 96.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1056820.0 | 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 | = | 96.0 | nM | 7.02 | Inhibition of IGF1R | 18258427 |
| Insulin-like growth factor 1 receptor | IC50 | = | 697.0 | nM | 6.16 | 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 |
Data from ChEMBL 36 via Core Engine