Compound Detail
CHEMBL231307
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Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCC(O)c4cccc(Br)c4)cc[nH]c3=O)nc12
Basic Information
| ChEMBL ID | CHEMBL231307 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQNXDJMPLAKIID-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
505.4
MW (Da)
4.32
ALogP
6
HBA
4
HBD
111.6
PSA (Ų)
0.27
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 2526.9 | 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 | = | 140.0 | nM | 6.85 | Inhibition of IGF1R | 17187980 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17187980 | 10.1016/j.bmcl.2006.11.041 | Insulin-like growth factor 1 receptor | 1 |
| 17187980 | 10.1016/j.bmcl.2006.11.041 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine