Compound Detail
CHEMBL3659506
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Cc1cc(-n2cnc3c(C(=O)N4CCOCC4)nc(N[C@@H](C)c4ncc(F)cn4)nc32)n[nH]1
Basic Information
| ChEMBL ID | CHEMBL3659506 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBORZXGAAMEEJB-LBPRGKRZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
452.4
MW (Da)
1.42
ALogP
10
HBA
2
HBD
139.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 5.14 | 5.14 | 7250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 7250.0 | nM | 5.14 | Amplified Luminescent Proximity Assay: To measure JAK2 kinase activity, a commer... | - |
Data from ChEMBL 36 via Core Engine