Compound Detail
CHEMBL392612
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CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(=O)NCN4CCN(c5cc6c(cc5F)c(=O)c(C(=O)O)cn6C5CC5)CC4)C(=O)[C@@]3(O)C(O)=C1C2=O
Basic Information
| ChEMBL ID | CHEMBL392612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYQHHSOHFAEOCX-GERBRBQTSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
800.8
MW (Da)
2.08
ALogP
14
HBA
6
HBD
216.4
PSA (Ų)
0.18
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17376679 | 10.1016/j.bmcl.2006.11.055 | Human immunodeficiency virus type 1 integrase | 2 |
| 17376679 | 10.1016/j.bmcl.2006.11.055 | CCRF-CEM | 1 |
| 17376679 | 10.1016/j.bmcl.2006.11.055 | Mycobacterium tuberculosis | 1 |
| 17376679 | 10.1016/j.bmcl.2006.11.055 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine