Compound Detail
CHEMBL1641899
SANGUINOLIGNAN A Enter ChEMBL ID:
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O=C1OC[C@H]([C@H](O)c2ccc3c(c2)OCO3)[C@H]1C(=O)c1ccc2c(c1)OCO2
Basic Information
| ChEMBL ID | CHEMBL1641899 |
| Name | SANGUINOLIGNAN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFLHIZSORMIUMV-UYHISHBKSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
384.3
MW (Da)
1.85
ALogP
8
HBA
1
HBD
100.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania amazonensis CHEMBL612877 | IC50 | 4.43 | 4.43 | 36700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania amazonensis | IC50 | = | 36700.0 | nM | 4.43 | Antileishmanial activity against Leishmania amazonensis MHOM/BR/76/LTB-012 axeni... | 20954722 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20954722 | 10.1021/np1005357 | Leishmania amazonensis | 1 |
| 20954722 | 10.1021/np1005357 | ADMET | 1 |
| 20954722 | 10.1021/np1005357 | Vero | 1 |
| 20954722 | 10.1021/np1005357 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine