Compound Detail
CHEMBL2322655
CINNABARINIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2322655 |
| Name | CINNABARINIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSBKJYLVDRVPTK-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
300.2
MW (Da)
1.27
ALogP
6
HBA
3
HBD
143.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.34
Ki 1 meas. best 6.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | Ki | 6.49 | 6.49 | 326.0 | 1 |
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.34 | 4.34 | 45300.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 4.19 | 4.19 | 65000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | Ki | = | 326.0 | nM | 6.49 | Inhibition of human recombinant N-terminus 6X-histidine-tagged indoleamine 2,3-d... | 23521768 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 460.0 | nM | 6.34 | Inhibition of human recombinant N-terminus 6X-histidine-tagged indoleamine 2,3-d... | 23521768 |
| Amine oxidase [flavin-containing] A | IC50 | = | 45300.0 | nM | 4.34 | Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI inse... | 34915314 |
| Amine oxidase [flavin-containing] B | IC50 | = | 65000.0 | nM | 4.19 | Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI inse... | 34915314 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23521768 | 10.1021/jm400049z | Indoleamine 2,3-dioxygenase 1 | 5 |
| 34915314 | 10.1016/j.bmc.2021.116558 | Amine oxidase [flavin-containing] A | 1 |
| 34915314 | 10.1016/j.bmc.2021.116558 | Amine oxidase [flavin-containing] B | 1 |
| 34915314 | 10.1016/j.bmc.2021.116558 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine