Compound Detail
CHEMBL385324
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
COC(=O)N1CCN(c2ccnc(-n3ccnc3)n2)[C@@H](CC(=O)NCc2ccc3c(c2)OCO3)C1
Basic Information
| ChEMBL ID | CHEMBL385324 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVYMEDQKBQMAKF-KRWDZBQOSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
479.5
MW (Da)
1.35
ALogP
10
HBA
1
HBD
123.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase, inducible CHEMBL4481 | IC50 | 9.62 | 9.62 | 0.2 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.0 | 7.875 | 10.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase, inducible | IC50 | = | 0.24 | nM | 9.62 | Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as in... | 17315988 |
| Unchecked | IC50 | = | 10.0 | nM | 8.0 | Inhibition of tetracycline system-induced human NOS expressed in SF9 cells | 17315988 |
| Unchecked | IC50 | = | 18.0 | nM | 7.75 | Inhibition of vaccinia virus system-induced human NOS expressed in BSC1 cells | 17315988 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17315988 | 10.1021/jm061319i | Unchecked | 6 |
| 17315988 | 10.1021/jm061319i | Nitric oxide synthase, inducible | 2 |
Data from ChEMBL 36 via Core Engine