Compound Detail
CHEMBL198705
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N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCC(O)CNC(=O)/C(C#N)=C/c1ccc(O)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL198705 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVQCWBDXMLATSX-IAGONARPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
464.4
MW (Da)
0.62
ALogP
9
HBA
7
HBD
206.9
PSA (Ų)
0.17
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dynamin-1 CHEMBL4958 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dynamin-1 | IC50 | = | 5100.0 | nM | 5.29 | Inhibitory activity against dynamin1 GTPase expressed in sheep brain | 16302817 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16302817 | 10.1021/jm040208l | Dynamin-1 | 1 |
Data from ChEMBL 36 via Core Engine