Compound Detail
CHEMBL513172
1-METHYLTRYPTOPHAN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL513172 |
| Name | 1-METHYLTRYPTOPHAN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZADWXFSZEAPBJS-UHFFFAOYSA-N |
1
Targets
10
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
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 |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.83
Ki 5 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 4.83 | 4.83 | 14690.0 | 1 |
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | Ki | 4.52 | 4.418 | 30000.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 14690.0 | nM | 4.83 | Inhibition of IDO1 in human IFN-gamma stimulated human HeLa cells assessed as in... | 28963992 |
| Indoleamine 2,3-dioxygenase 1 | Ki | = | 30000.0 | nM | 4.52 | Inhibition of human recombinant IDO assessed as inhibition of indoleamine 2,3-di... | 23337802 |
| Indoleamine 2,3-dioxygenase 1 | Ki | = | 34000.0 | nM | 4.47 | Competitive inhibition of indoleamine-2,3-dioxygenase | 21925773 |
| Indoleamine 2,3-dioxygenase 1 | Ki | = | 34000.0 | nM | 4.47 | Inhibition of human recombinant IDO using L-tryptophan as substrate | 24939758 |
| Indoleamine 2,3-dioxygenase 1 | Ki | = | 38000.0 | nM | 4.42 | Inhibition of IDO1 (unknown origin) | 26207924 |
| Indoleamine 2,3-dioxygenase 1 | Ki | = | 62000.0 | nM | 4.21 | Inhibition of human recombinant indoleamine 2,3-dioxygenase | 18393489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19113967 | 10.1021/np800501m | Unchecked | 2 |
| 19113967 | 10.1021/np800501m | Tryprostatin B synthase ftmPT1 | 2 |
| 21925773 | 10.1016/j.ejmech.2011.08.044 | Indoleamine 2,3-dioxygenase 1 | 2 |
| 29220788 | 10.1016/j.ejmech.2017.11.088 | Indoleamine 2,3-dioxygenase 1 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 18393489 | 10.1021/jm800143h | Indoleamine 2,3-dioxygenase 1 | 1 |
| 23337802 | 10.1016/j.bmc.2012.12.028 | Indoleamine 2,3-dioxygenase 1 | 1 |
| 24939758 | 10.1016/j.bmcl.2014.05.084 | Indoleamine 2,3-dioxygenase 1 | 1 |
| 26207924 | 10.1021/acs.jmedchem.5b00461 | Indoleamine 2,3-dioxygenase 1 | 1 |
| 28963992 | 10.1016/j.ejmech.2017.09.025 | Indoleamine 2,3-dioxygenase 1 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 36917881 | 10.1016/j.ejmech.2023.115258 | Indoleamine 2,3-dioxygenase 1 | 1 |
Data from ChEMBL 36 via Core Engine