Compound Detail
CHEMBL2137786
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C[C@@H](O[C@H]1OCCN(CC2=NC(=O)N=N2)[C@H]1C1CCC(F)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL2137786 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRFQFDMDZFLXRY-GTQYJQEFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
538.5
MW (Da)
6.34
ALogP
5
HBA
0
HBD
75.8
PSA (Ų)
0.40
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.16 | 5.16 | 6890.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6890.5 | nM | 5.16 | PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture CD31-stained tube area de... | - |
Data from ChEMBL 36 via Core Engine