Compound Detail
CHEMBL1668004
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CCc1nc2c(C)cc(C)nc2n1Cc1cccc([C@@H](c2ccccc2)[C@@H](C)C(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL1668004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGXVVSOJSAPRGU-NTKDMRAZSA-N |
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
427.6
MW (Da)
5.51
ALogP
4
HBA
1
HBD
68.0
PSA (Ų)
0.42
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 91.0 | % | Rattus norvegicus |
| T1/2 | 9.1 | hr | Rattus norvegicus |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21071232 | 10.1016/j.bmc.2010.10.043 | Rattus norvegicus | 4 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine