Compound Detail
CHEMBL324842
ROSMARINIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL324842 |
| Name | ROSMARINIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOUMFZQKYFQNTF-WUTVXBCWSA-N |
32
Targets
70
Activities
4
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
360.3
MW (Da)
1.76
ALogP
7
HBA
5
HBD
144.5
PSA (Ų)
0.30
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 57 meas. best 6.82
EC50 7 meas. best 5.1
Kd 3 meas. best 4.99
Ki 3 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 CHEMBL5925 | Ki | 7.57 | 7.57 | 26.9 | 1 |
| Mus musculus CHEMBL375 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Alpha-synuclein CHEMBL6152 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 6.26 | 5.192 | 550.0 | 5 |
| HeLa CHEMBL399 | IC50 | 6.02 | 6.02 | 960.0 | 1 |
| Tyrosine-protein kinase Fyn CHEMBL1841 | IC50 | 5.89 | 5.0813 | 1300.0 | 8 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.74 | 5.74 | 1810.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.69 | 5.69 | 2025.7 | 1 |
| MOLM-13 CHEMBL3706572 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| 17-beta-hydroxysteroid dehydrogenase type 2 CHEMBL2789 | IC50 | 5.43 | 5.43 | 3720.0 | 1 |
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 5.41 | 5.41 | 3890.4 | 1 |
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 5.41 | 5.41 | 3860.0 | 1 |
| Aldo-keto reductase family 1 member B1 CHEMBL1900 | IC50 | 5.41 | 5.41 | 3910.0 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
| MOLM-14 CHEMBL3706570 | IC50 | 5.15 | 5.15 | 7100.0 | 1 |
| Tyrosine-protein kinase Fyn CHEMBL1841 | Ki | 5.12 | 5.055 | 7500.0 | 2 |
| Radical scavenging activity CHEMBL613712 | EC50 | 5.1 | 5.1 | 8000.0 | 1 |
| Transthyretin CHEMBL3194 | EC50 | 5.07 | 5.07 | 8600.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 4.99 | 4.99 | 10200.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Transcription factor Jun CHEMBL4977 | IC50 | 4.79 | 4.79 | 16200.0 | 1 |
| Amyloid-beta precursor protein CHEMBL2487 | EC50 | 4.69 | 4.3667 | 20300.0 | 3 |
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 4.68 | 4.68 | 20930.0 | 2 |
| Molecular identity unknown CHEMBL612546 | IC50 | 4.66 | 4.375 | 21900.0 | 2 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 4.62 | 4.44 | 24000.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.62 | 4.3917 | 24000.0 | 6 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
| 72 kDa type IV collagenase CHEMBL1075175 | IC50 | 4.57 | 4.57 | 27200.0 | 1 |
| Hepatitis B virus CHEMBL613497 | EC50 | 4.52 | 4.52 | 30000.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 4.47 | 4.47 | 34200.0 | 1 |
| UDP-galactopyranose mutase CHEMBL5169233 | Kd | 4.16 | 4.16 | 69000.0 | 1 |
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 4.14 | 4.14 | 71900.0 | 1 |
| HT-22 CHEMBL614316 | EC50 | 4.07 | 4.07 | 86000.0 | 1 |
| Bifunctional protein GlmU CHEMBL1293297 | IC50 | 4.07 | 4.07 | 84940.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine