Compound Detail
CHEMBL4546703
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CC(C)COc1cccc(Cl)c1-c1cc2cnc(N)nc2nc1N1C[C@@H]2[C@@H](N)[C@@H]2C1
Basic Information
| ChEMBL ID | CHEMBL4546703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLZBWLWZNBWUBK-QWHZDKJVSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
424.9
MW (Da)
3.36
ALogP
7
HBA
2
HBD
103.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31306011 | 10.1021/acs.jmedchem.9b00625 | Pseudomonas aeruginosa | 18 |
| 31306011 | 10.1021/acs.jmedchem.9b00625 | Escherichia coli | 7 |
| 31306011 | 10.1021/acs.jmedchem.9b00625 | Epidermal growth factor receptor | 1 |
| 31306011 | 10.1021/acs.jmedchem.9b00625 | Inhibitor of nuclear factor kappa-B kinase subunit epsilon | 1 |
| 31306011 | 10.1021/acs.jmedchem.9b00625 | Casein kinase I isoform delta | 1 |
| 31306011 | 10.1021/acs.jmedchem.9b00625 | Cyclin-dependent kinase 1/cyclin B1 | 1 |
| 31306011 | 10.1021/acs.jmedchem.9b00625 | Serine/threonine-protein kinase PAK 4 | 1 |
| 31306011 | 10.1021/acs.jmedchem.9b00625 | Aurora kinase A | 1 |
| 31306011 | 10.1021/acs.jmedchem.9b00625 | Hepatocyte growth factor receptor | 1 |
| 31306011 | 10.1021/acs.jmedchem.9b00625 | Mitogen-activated protein kinase 14 | 1 |
| 31306011 | 10.1021/acs.jmedchem.9b00625 | Mitogen-activated protein kinase 1 | 1 |
| 31306011 | 10.1021/acs.jmedchem.9b00625 | High affinity nerve growth factor receptor | 1 |
| 31306011 | 10.1021/acs.jmedchem.9b00625 | Mitogen-activated protein kinase kinase kinase kinase 4 | 1 |
| 31306011 | 10.1021/acs.jmedchem.9b00625 | Biotin carboxylase | 1 |
| 31306011 | 10.1021/acs.jmedchem.9b00625 | Fibroblast growth factor receptor 1 | 1 |
| 31306011 | 10.1021/acs.jmedchem.9b00625 | Tyrosine-protein kinase BTK | 1 |
| 31306011 | 10.1021/acs.jmedchem.9b00625 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 31306011 | 10.1021/acs.jmedchem.9b00625 | Tyrosine-protein kinase Fyn | 1 |
| 31306011 | 10.1021/acs.jmedchem.9b00625 | Tyrosine-protein kinase ABL1 | 1 |
| 31306011 | 10.1021/acs.jmedchem.9b00625 | Klebsiella pneumoniae | 1 |
Data from ChEMBL 36 via Core Engine