Compound Detail
CHEMBL26019
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Basic Information
| ChEMBL ID | CHEMBL26019 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANOUKFYBOAKOIR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
181.2
MW (Da)
1.20
ALogP
3
HBA
1
HBD
44.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin (5-HT) receptor CHEMBL2094123 | Kd | 5.36 | 5.36 | 4365.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin (5-HT) receptor | Kd | = | 4365.16 | nM | 5.36 | Affinity against 5-hydroxytryptamine receptors in rat fundus model | 7365744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2299636 | 10.1021/jm00164a036 | Homo sapiens | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 7310812 | 10.1021/jm00143a017 | Monoamine oxidase | 2 |
| 17034126 | 10.1021/jm051076e | Amine oxidase [copper-containing] 3 | 2 |
| - | 10.6019/CHEMBL4513141 | Candida albicans | 1 |
| 7365744 | 10.1021/jm00177a017 | Serotonin (5-HT) receptor | 1 |
| - | 10.6019/CHEMBL4513141 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4513141 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4513141 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4513141 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513141 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513141 | Cryptococcus neoformans | 1 |
| 7310812 | 10.1021/jm00143a017 | Homo sapiens | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 592329 | 10.1021/jm00222a019 | Homo sapiens | 1 |
| 23473681 | 10.1016/j.bmcl.2013.02.005 | Escherichia coli | 1 |
| 23473681 | 10.1016/j.bmcl.2013.02.005 | Bacillus subtilis | 1 |
Data from ChEMBL 36 via Core Engine