Compound Detail
CHEMBL571209
INDOXIMOD 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL571209 |
| Name | INDOXIMOD |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | ZADWXFSZEAPBJS-SNVBAGLBSA-N |
1
Targets
15
Activities
3
Assay Types
30
PK Parameters
20
Publications
7
Known Names
14
Indications
1
Mechanisms
Molecular Properties
218.3
MW (Da)
1.13
ALogP
3
HBA
2
HBD
68.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| mTORC1 activator | ACTIVATOR | mTORC1 | ✓ | ✓ |
Indications
Breast Neoplasms Melanoma Melanoma Prostatic Neoplasms Brain Neoplasms Carcinoma, Non-Small-Cell Lung Ependymoma Glioblastoma Gliosarcoma Leukemia, Myeloid, Acute Medulloblastoma Neoplasms Pancreatic Neoplasms Paraganglioma
Activity Summary
IC50 8 meas. best 4.02
Ki 6 meas. best 4.72
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | Ki | 4.72 | 4.51 | 19000.0 | 5 |
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 4.02 | 4.02 | 95600.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 37104.2 | ng.hr.mL-1 | Mus musculus |
| AUC | 24881.64 | ng.hr.mL-1 | Homo sapiens |
| AUC | 18115.58 | ng.hr.mL-1 | Homo sapiens |
| AUC | 37104.2 | ng.hr.mL-1 | Homo sapiens |
| AUC | 288757.98 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 52382.4 | ng.hr.mL-1 | Mus musculus |
| AUC | 110876.08 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 85121.4 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 235720.8 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 626624.46 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 8403.01 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 16347.67 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 36012.9 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 7944.66 | ng.hr.mL-1 | Mus musculus |
| AUC | 16958.8 | ng.hr.mL-1 | Mus musculus |
| AUC | 33524.74 | ng.hr.mL-1 | Mus musculus |
| AUC | 7944.66 | ng.hr.mL-1 | Mus musculus |
| AUC | 15409.16 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 38632.02 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 48671.98 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 87958.78 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 111094.34 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 114586.5 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 39505.06 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 1407777.0 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 975622.2 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 69843.2 | ng.hr.mL-1 | Macaca fascicularis |
| CL | 10.2 | mL.min-1.kg-1 | Macaca fascicularis |
| Cmax | 50000.0 | nM | Mus musculus |
| Cmax | 13700.0 | nM | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | Ki | = | 19000.0 | nM | 4.72 | Binding affinity to human IDO1 assessed as inhibition constant | 34110158 |
| Indoleamine 2,3-dioxygenase 1 | Ki | = | 34000.0 | nM | 4.47 | Inhibition of human IDO1 | 35952399 |
| Indoleamine 2,3-dioxygenase 1 | Ki | = | 34000.0 | nM | 4.47 | Binding affinity to IDO1 (unknown origin) | 34752953 |
| Indoleamine 2,3-dioxygenase 1 | Ki | = | 35000.0 | nM | 4.46 | Binding affinity to IDO1 (unknown origin) assessed as inhibition constant | 35696861 |
| Indoleamine 2,3-dioxygenase 1 | Ki | = | 37000.0 | nM | 4.43 | Inhibition of human IDO1 using L-tryptophan as substrate assessed as reduction i... | 37866714 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 95600.0 | nM | 4.02 | Inhibition of recombinant human His-tagged IDO1 expressed in Escherichia coli BL... | 28526475 |
Literature References
Data from ChEMBL 36 via Core Engine