Compound Detail
CHEMBL39993
MAGNESIUM LITHOSPERMATE B Enter ChEMBL ID:
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O=C(/C=C/c1ccc(O)c2c1[C@H](C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)[O-])[C@@H](c1ccc(O)c(O)c1)O2)O[C@H](Cc1ccc(O)c(O)c1)C(=O)[O-].[Mg+2]
Basic Information
| ChEMBL ID | CHEMBL39993 |
| Name | MAGNESIUM LITHOSPERMATE B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANUBYMNVOPVATP-LKYMKJHQSA-L |
| Parent Compound | CHEMBL1615434 |
| Active Moiety | CHEMBL1615434 |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
718.6
MW (Da)
3.33
ALogP
14
HBA
9
HBD
278.0
PSA (Ų)
0.06
QED
3
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2213036 | 10.1021/np50069a019 | Rattus norvegicus | 6 |
| - | 10.1016/S0960-894X(00)80422-9 | Human immunodeficiency virus 1 | 3 |
| - | 10.1016/S0960-894X(00)80422-9 | ADMET | 1 |
| - | 10.1016/S0960-894X(00)80422-9 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine