Compound Detail
CHEMBL201515
MASLINIC ACID Enter ChEMBL ID:
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CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Basic Information
| ChEMBL ID | CHEMBL201515 |
| Name | MASLINIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDZKJHQSJHYOHJ-LLICELPBSA-N |
25
Targets
85
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
472.7
MW (Da)
6.20
ALogP
3
HBA
3
HBD
77.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 51 meas. best 6.2
EC50 34 meas. best 7.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.76 | 7.76 | 17.3 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.2 | 4.905 | 630.0 | 4 |
| Aldo-keto reductase family 1 member B10 CHEMBL5983 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
| G-protein coupled bile acid receptor 1 CHEMBL5409 | EC50 | 5.43 | 5.43 | 3700.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.23 | 5.23 | 5930.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.07 | 4.875 | 8600.0 | 2 |
| 518A2 CHEMBL4483222 | EC50 | 4.86 | 4.86 | 13700.0 | 5 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.86 | 4.755 | 13700.0 | 4 |
| NIH3T3 CHEMBL614822 | IC50 | 4.78 | 4.71 | 16600.0 | 3 |
| NIH3T3 CHEMBL614822 | EC50 | 4.78 | 4.7 | 16600.0 | 5 |
| ADMET CHEMBL612558 | IC50 | 4.78 | 4.78 | 16600.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.78 | 4.695 | 16600.0 | 2 |
| 8505C CHEMBL1075387 | IC50 | 4.77 | 4.77 | 17000.0 | 3 |
| FaDu CHEMBL612250 | EC50 | 4.77 | 4.77 | 17000.0 | 1 |
| 8505C CHEMBL1075387 | EC50 | 4.77 | 4.77 | 17000.0 | 3 |
| BV-2 CHEMBL614781 | IC50 | 4.75 | 4.75 | 17800.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 4.71 | 4.71 | 19500.0 | 3 |
| A2780 CHEMBL614004 | EC50 | 4.71 | 4.71 | 19500.0 | 5 |
| Tyrosine-protein phosphatase non-receptor type 2 CHEMBL3807 | IC50 | 4.71 | 4.71 | 19470.0 | 1 |
| A549 CHEMBL392 | EC50 | 4.63 | 4.63 | 23400.0 | 5 |
| A549 CHEMBL392 | IC50 | 4.63 | 4.63 | 23400.0 | 3 |
| MCF7 CHEMBL387 | EC50 | 4.61 | 4.49 | 24400.0 | 3 |
| Glycogen phosphorylase, muscle form CHEMBL4696 | IC50 | 4.55 | 4.55 | 28000.0 | 5 |
| Glycogen phosphorylase, muscle form CHEMBL3526 | IC50 | 4.55 | 4.55 | 28000.0 | 1 |
| HT-29 CHEMBL384 | EC50 | 4.54 | 4.54 | 28800.0 | 5 |
| HT-29 CHEMBL384 | IC50 | 4.54 | 4.515 | 28800.0 | 6 |
| B16-F10 CHEMBL612656 | IC50 | 4.44 | 4.44 | 36200.0 | 3 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 4.38 | 4.38 | 42000.0 | 1 |
| Protease CHEMBL2366517 | IC50 | 4.2 | 4.2 | 62700.0 | 1 |
| Aldo-keto reductase family 1 member B1 CHEMBL1900 | IC50 | 4.14 | 4.14 | 72000.0 | 1 |
| Glycogen phosphorylase, liver form CHEMBL3239 | IC50 | 4.0 | 4.0 | 99000.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.0 | 4.0 | 99200.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine