Compound Detail
CHEMBL3655745
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C[C@@]1(C(=O)Nc2ccc(N)nc2)CCCN1c1nc(Nc2cc(C(N)=O)[nH]n2)c2cccn2n1
Basic Information
| ChEMBL ID | CHEMBL3655745 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDMPLVSMJKLMCP-NRFANRHFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
461.5
MW (Da)
1.27
ALogP
10
HBA
5
HBD
185.2
PSA (Ų)
0.28
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 28.0 | nM | 7.55 | Tyrosine Kinase Assay: Kinase assay using IGF1-receptor. | - |
Data from ChEMBL 36 via Core Engine