Compound Detail
CHEMBL1779522
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COCCOCCOCCOc1cc2c(cc1OC)CCN(CCc1ccc(NC(=O)c3ccc(C(=O)O)c(NC(=O)c4ccc5ccccc5n4)c3)cc1)C2.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL1779522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBTLDDUMYWCDNB-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1789393 |
| Active Moiety | CHEMBL1789393 |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
762.9
MW (Da)
6.11
ALogP
10
HBA
3
HBD
157.8
PSA (Ų)
0.08
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21570282 | 10.1016/j.bmcl.2011.04.094 | ATP-dependent translocase ABCB1 | 1 |
| 21570282 | 10.1016/j.bmcl.2011.04.094 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 1 |
Data from ChEMBL 36 via Core Engine