Compound Detail
CHEMBL3976004
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Cc1ccc(NC(=O)c2cc(-n3ccnc3C)cc(C(C)(C)C)c2)cc1-n1ccn2nc(-c3cccnc3)cc12
Basic Information
| ChEMBL ID | CHEMBL3976004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITZNMLJDYJNMMN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
529.6
MW (Da)
6.54
ALogP
7
HBA
1
HBD
82.0
PSA (Ų)
0.27
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiopoietin-1 receptor | IC50 | = | 0.3 | nM | 9.52 | Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay: For the as... | - |
Data from ChEMBL 36 via Core Engine