Compound Detail
CHEMBL468547
EXIGUAMINE A Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CN1C(=O)N(C)[C@@]2(Oc3c(O)cc4c(c3C3=C2C(=O)c2c(CCN)c[nH]c2C3=O)CC[N+]4(C)C)C1=O
Basic Information
| ChEMBL ID | CHEMBL468547 |
| Name | EXIGUAMINE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEKKREMMIOJMRO-VWLOTQADSA-O |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
492.5
MW (Da)
0.79
ALogP
7
HBA
3
HBD
146.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | Ki | 7.39 | 7.1533 | 41.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | Ki | = | 41.0 | nM | 7.39 | Inhibition of human recombinant indoleamine 2,3-dioxygenase | 18393489 |
| Indoleamine 2,3-dioxygenase 1 | Ki | = | 41.0 | nM | 7.39 | Inhibition of IDO1 (unknown origin) | 34147748 |
| Indoleamine 2,3-dioxygenase 1 | Ki | = | 210.0 | nM | 6.68 | Inhibition of IDO1 (unknown origin) | 23218716 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18393489 | 10.1021/jm800143h | Indoleamine 2,3-dioxygenase 1 | 1 |
| 23218716 | 10.1016/j.bmcl.2012.11.036 | Indoleamine 2,3-dioxygenase 1 | 1 |
| 34147748 | 10.1016/j.ejmech.2021.113631 | Indoleamine 2,3-dioxygenase 1 | 1 |
Data from ChEMBL 36 via Core Engine