Compound Detail
CHEMBL3655749
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O=C(Nc1nccs1)[C@@H]1C[C@@H](O)CN1c1nc(Nc2cc(C3CC3)n[nH]2)c2cccn2n1
Basic Information
| ChEMBL ID | CHEMBL3655749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXKCEYDUKWXANC-DOMZBBRYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
451.5
MW (Da)
2.11
ALogP
10
HBA
4
HBD
136.4
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 5.0 | nM | 8.3 | Tyrosine Kinase Assay: Kinase assay using IGF1-receptor. | - |
Data from ChEMBL 36 via Core Engine