Compound Detail
CHEMBL1094224
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N#C/C(=C\c1ccc(N=[N+]=[N-])cc1)C(=O)NCCCNC(=O)/C(C#N)=C/c1ccc(O)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL1094224 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASVSPFFXZVJYQA-ODPUSEOTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
457.4
MW (Da)
3.18
ALogP
7
HBA
4
HBD
195.0
PSA (Ų)
0.08
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6400.0 | nM | 5.19 | Inhibition of sheep brain dynamin 1 by malachite green GTPase assay | 20426422 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20426422 | 10.1021/jm100119c | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine