Compound Detail
CHEMBL1095512
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
N=c1oc2c(O)c(O)ccc2cc1C(=O)NCCCCCCNC(=O)c1cc2ccc(O)c(O)c2oc1=N
Basic Information
| ChEMBL ID | CHEMBL1095512 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JECHVWNVVBKVES-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
522.5
MW (Da)
2.68
ALogP
10
HBA
8
HBD
213.1
PSA (Ų)
0.12
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.16 | 4.16 | 70000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 70000.0 | nM | 4.16 | 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