Compound Detail
CHEMBL382994
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O=C([C@@H](O)C1CC1)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(OP(=O)(O)O)c1
Basic Information
| ChEMBL ID | CHEMBL382994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEIFUEKLMPCTMH-PMACEKPBSA-N |
0
Targets
0
Activities
0
Assay Types
4
PK Parameters
5
Publications
0
Known Names
Molecular Properties
451.4
MW (Da)
3.17
ALogP
4
HBA
3
HBD
107.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | - | - | Canis lupus familiaris |
| CL | - | - | Rattus norvegicus |
| T1/2 | - | - | Canis lupus familiaris |
| T1/2 | - | - | Rattus norvegicus |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16439122 | 10.1016/j.bmcl.2005.12.094 | Canis familiaris | 3 |
| 16439122 | 10.1016/j.bmcl.2005.12.094 | Rattus norvegicus | 3 |
| 16439122 | 10.1016/j.bmcl.2005.12.094 | Kinesin-like protein KIF11 | 1 |
| 16439122 | 10.1016/j.bmcl.2005.12.094 | A2780 | 1 |
| 16439122 | 10.1016/j.bmcl.2005.12.094 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine