| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3742451
Max Phase: Preclinical
Molecular Formula: C6H10N4O3
Molecular Weight: 186.17
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cn1nnc(O)c1CC(N)C(=O)O
Standard InChI: InChI=1S/C6H10N4O3/c1-10-4(5(11)8-9-10)2-3(7)6(12)13/h3,11H,2,7H2,1H3,(H,12,13)
Standard InChI Key: TYIWZXWKUZWIIO-UHFFFAOYSA-N
Associated Targets(Human)
GRIA2 Tclin Glutamate receptor ionotropic, AMPA 2 (847 Activities)
GRIA1 Tclin Glutamate receptor ionotropic, AMPA 1 (277 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
GRIA4 Tclin Glutamate receptor ionotropic, AMPA 4 (256 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
GRIA3 Tclin Glutamate receptor ionotropic, AMPA 3 (127 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
Gria2 Glutamate receptor ionotropic, AMPA (2103 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Gria1 Glutamate receptor ionotropic, AMPA 1 (398 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Gria2 Glutamate receptor ionotropic, AMPA 2 (249 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Gria3 Glutamate receptor ionotropic, AMPA 3 (147 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Gria4 Glutamate receptor ionotropic, AMPA 4 (112 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 186.17 | Molecular Weight (Monoisotopic): 186.0753 | AlogP: -1.52 | #Rotatable Bonds: 3 |
| Polar Surface Area: 114.26 | Molecular Species: ZWITTERION | HBA: 6 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 1.33 | CX Basic pKa: 9.19 | CX LogP: -3.03 | CX LogD: -4.76 |
| Aromatic Rings: 1 | Heavy Atoms: 13 | QED Weighted: 0.53 | Np Likeness Score: -0.36 |
References
| 1. Andersen JL, Lindberg S, Langgård M, Maltas PJ, Rønn LCB, Bundgaard C, Strandbygaard D, Thirup S, Watson SP.. (2017) The identification of novel acid isostere based inhibitors of the VPS10P family sorting receptor Sortilin., 27 (11): [PMID:28462834] [10.1016/j.bmcl.2017.02.028] |
| 2. Sainas S, Temperini P, Farnsworth JC, Yi F, Møllerud S, Jensen AA, Nielsen B, Passoni A, Kastrup JS, Hansen KB, Boschi D, Pickering DS, Clausen RP, Lolli ML.. (2019) Use of the 4-Hydroxytriazole Moiety as a Bioisosteric Tool in the Development of Ionotropic Glutamate Receptor Ligands., 62 (9): [PMID:30943028] [10.1021/acs.jmedchem.8b01986] |
Source
Source(1):