Compound Detail
CHEMBL541265
SALVIANOLIC ACID B Enter ChEMBL ID:
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O=C(/C=C/c1cc(O)cc2c1[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
Basic Information
| ChEMBL ID | CHEMBL541265 |
| Name | SALVIANOLIC ACID B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLSNESYAOIRZEA-AVPWDRFWSA-N |
6
Targets
7
Activities
2
Assay Types
2
PK Parameters
16
Publications
0
Known Names
Molecular Properties
720.6
MW (Da)
3.13
ALogP
14
HBA
10
HBD
281.2
PSA (Ų)
0.04
QED
3
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.81
Ki 3 meas. best 7.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 7 CHEMBL2326 | Ki | 7.45 | 7.45 | 35.5 | 1 |
| Carbonic anhydrase 4 CHEMBL3729 | Ki | 7.18 | 7.18 | 65.6 | 1 |
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 6.34 | 6.34 | 453.6 | 1 |
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 5.81 | 5.555 | 1540.0 | 2 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 4.39 | 4.39 | 41000.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 4.05 | 4.05 | 90000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 1248.89 | nM | Rattus norvegicus |
| F | 2.3 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 7 | Ki | = | 35.5 | nM | 7.45 | Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins at... | 26498393 |
| Carbonic anhydrase 4 | Ki | = | 65.6 | nM | 7.18 | Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins at... | 26498393 |
| Carbonic anhydrase 12 | Ki | = | 453.6 | nM | 6.34 | Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins a... | 26498393 |
| Amyloid-beta precursor protein | IC50 | = | 1540.0 | nM | 5.81 | Inhibition of amyloid beta (1 to 40) aggregation (unknown origin) | 24393583 |
| Amyloid-beta precursor protein | IC50 | = | 5000.0 | nM | 5.3 | Destabilization of preformed amyloid beta (1 to 40) (unknown origin) | 24393583 |
| Tyrosine-protein kinase Lck | IC50 | = | 41000.0 | nM | 4.39 | Inhibition of LCK SH2 domain | 19427202 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 90000.0 | nM | 4.05 | Inhibition of c-SRC SH2 domain | 19427202 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25038483 | 10.1016/j.ejmech.2014.07.043 | H9c2 | 4 |
| 24393583 | 10.1016/j.bmcl.2013.12.042 | Rattus norvegicus | 2 |
| 24393583 | 10.1016/j.bmcl.2013.12.042 | Amyloid-beta precursor protein | 2 |
| 15787443 | 10.1021/np049735y | Rattus norvegicus | 1 |
| 19427202 | 10.1016/j.bmcl.2009.04.083 | Tyrosine-protein kinase Lck | 1 |
| 19427202 | 10.1016/j.bmcl.2009.04.083 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 19427202 | 10.1016/j.bmcl.2009.04.083 | Signal transducer and activator of transcription 1-alpha/beta | 1 |
| 19427202 | 10.1016/j.bmcl.2009.04.083 | Signal transducer and activator of transcription 3 | 1 |
| 19427202 | 10.1016/j.bmcl.2009.04.083 | Signal transducer and activator of transcription 5B | 1 |
| 22884354 | 10.1016/j.bmc.2012.07.038 | Replicase polyprotein 1a | 1 |
| 24018191 | 10.1016/j.bmcl.2013.08.065 | HEK293 | 1 |
| 26498393 | 10.1016/j.bmc.2015.10.018 | Carbonic anhydrase 1 | 1 |
| 26498393 | 10.1016/j.bmc.2015.10.018 | Carbonic anhydrase 2 | 1 |
| 26498393 | 10.1016/j.bmc.2015.10.018 | Carbonic anhydrase 4 | 1 |
| 26498393 | 10.1016/j.bmc.2015.10.018 | Carbonic anhydrase 7 | 1 |
| 26498393 | 10.1016/j.bmc.2015.10.018 | Carbonic anhydrase 12 | 1 |
Data from ChEMBL 36 via Core Engine