Compound Detail
CHEMBL5746978
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COC(=O)N1C[C@@H](C)N(c2ncc3[nH]nc(-c4ccc(N5CCN(C(C)CO)CC5)cc4)c3n2)[C@@H](C)C1
Basic Information
| ChEMBL ID | CHEMBL5746978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZVXPMZHHFJTIR-DFNIBXOVSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
508.6
MW (Da)
2.19
ALogP
9
HBA
2
HBD
114.0
PSA (Ų)
0.54
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 5.9 | 5.9 | 1250.0 | 1 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 5.9 | 5.9 | 1250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 | IC50 | = | 300.0 | nM | 6.52 | Enzymatic Assay: un-Phosphorylated (UP): The inhibitor potency of the exemplifie... | - |
| Fibroblast growth factor receptor 3 | IC50 | = | 1250.0 | nM | 5.9 | Enzymatic Assay: un-Phosphorylated (UP): The inhibitor potency of the exemplifie... | - |
| Fibroblast growth factor receptor 2 | IC50 | = | 1250.0 | nM | 5.9 | Enzymatic Assay: un-Phosphorylated (UP): The inhibitor potency of the exemplifie... | - |
Data from ChEMBL 36 via Core Engine