Compound Detail
CHEMBL2315030
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CC(C)C[C@H](NC(=O)OCc1cccc(F)c1)C(=O)N[C@@H](CC1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]
Basic Information
| ChEMBL ID | CHEMBL2315030 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBVODDVBBWXNHW-MXZVQZHJSA-M |
| Parent Compound | CHEMBL2364831 |
| Active Moiety | CHEMBL2364831 |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
0.68
ALogP
7
HBA
5
HBD
171.1
PSA (Ų)
0.27
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23218713 | 10.1016/j.bmcl.2012.11.026 | ADMET | 1 |
| 23218713 | 10.1016/j.bmcl.2012.11.026 | NON-PROTEIN TARGET | 1 |
| 23218713 | 10.1016/j.bmcl.2012.11.026 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine