Compound Detail
CHEMBL5187131
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CCn1nc(C)cc1C(=O)NCCCOc1cc(C(N)=O)cc2nc(NC(=O)c3cc(C)nn3CC)n(C/C=C/Cn3c(NC(=O)c4cc(C)nn4CC)nc4cc(C(N)=O)cc(OC)c43)c12
Basic Information
| ChEMBL ID | CHEMBL5187131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPGORUIXYNTYKM-VAWYXSNFSA-N |
0
Targets
1
Activities
1
Assay Types
4
PK Parameters
5
Publications
0
Known Names
Molecular Properties
916.0
MW (Da)
4.13
ALogP
17
HBA
5
HBD
281.0
PSA (Ų)
0.05
QED
2
Ro5 Violations
20
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas.
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 4240.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 4300.0 | ng.hr.mL-1 | Mus musculus |
| CL | 12.0 | mL.min-1.kg-1 | Mus musculus |
| T1/2 | 1.75 | hr | Mus musculus |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35315650 | 10.1021/acs.jmedchem.1c01795 | Unchecked | 8 |
| 35315650 | 10.1021/acs.jmedchem.1c01795 | ADMET | 7 |
| 35315650 | 10.1021/acs.jmedchem.1c01795 | CT26 | 3 |
| 35315650 | 10.1021/acs.jmedchem.1c01795 | Stimulator of interferon genes protein | 2 |
| 35315650 | 10.1021/acs.jmedchem.1c01795 | Nuclear factor NF-kappa-B complex | 1 |
Data from ChEMBL 36 via Core Engine