Compound Detail
CHEMBL1173474
BEHENIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1173474 |
| Name | BEHENIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKMSUNONTOPOIO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
340.6
MW (Da)
7.89
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.23
QED
1
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | IC50 | = | 30000.0 | nM | 4.52 | Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scint... | - |
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 30000.0 | nM | 4.52 | Displacement of [3H]BRL49653 from Homo sapiens (human) PPARgamma receptor by sci... | - |
| Peroxisome proliferator-activated receptor alpha | IC50 | = | 30000.0 | nM | 4.52 | Displacement of [3H]GW2331 from Homo sapiens (human) PPARalpha receptor by scint... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 30220607 | 10.1016/j.bmcl.2018.09.013 | Acetylcholinesterase | 2 |
| - | 10.1007/s00044-012-0285-6 | Peroxisome proliferator-activated receptor alpha | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 30220607 | 10.1016/j.bmcl.2018.09.013 | Cholinesterase | 1 |
| 24360558 | 10.1016/j.bmcl.2013.12.008 | Cortical neurone | 1 |
| 20565070 | 10.1021/np1000945 | NON-PROTEIN TARGET | 1 |
| - | 10.1007/s00044-012-0285-6 | Peroxisome proliferator-activated receptor gamma | 1 |
| - | 10.1007/s00044-012-0285-6 | Peroxisome proliferator-activated receptor delta | 1 |
| 21813280 | 10.1016/j.bmc.2011.07.006 | Escherichia coli | 1 |
| 21813280 | 10.1016/j.bmc.2011.07.006 | Candida albicans | 1 |
| 21813280 | 10.1016/j.bmc.2011.07.006 | Pseudomonas aeruginosa | 1 |
| 21813280 | 10.1016/j.bmc.2011.07.006 | Bacillus subtilis | 1 |
| 21813280 | 10.1016/j.bmc.2011.07.006 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine