Compound Detail
CHEMBL6001325
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CCCCNc1ncc(-c2ccc(CNCC34CC5CC(CC(C5)C3)C4)cn2)c(N[C@H]2CC[C@H](O)CC2)n1
Basic Information
| ChEMBL ID | CHEMBL6001325 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMAFXYZWTSGYMU-LCKWQUASSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
518.8
MW (Da)
5.77
ALogP
7
HBA
4
HBD
95.0
PSA (Ų)
0.28
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 9.38 | 9.38 | 0.4 | 1 |
| Tyrosine-protein kinase Mer CHEMBL5331 | IC50 | 9.37 | 9.37 | 0.4 | 1 |
| Growth arrest-specific protein 6 CHEMBL4804247 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
| Tyrosine-protein kinase receptor TYRO3 CHEMBL5314 | IC50 | 8.36 | 8.36 | 4.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 0.42 | nM | 9.38 | Activity Assay: Briefly, activity assays were performed in a 384 well, polypropy... | - |
| Tyrosine-protein kinase Mer | IC50 | = | 0.43 | nM | 9.37 | Activity Assay: Briefly, activity assays were performed in a 384 well, polypropy... | - |
| Growth arrest-specific protein 6 | IC50 | = | 1.3 | nM | 8.89 | Activity Assay: Briefly, activity assays were performed in a 384 well, polypropy... | - |
| Tyrosine-protein kinase receptor TYRO3 | IC50 | = | 4.4 | nM | 8.36 | Activity Assay: Briefly, activity assays were performed in a 384 well, polypropy... | - |
Data from ChEMBL 36 via Core Engine