| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5197933
Max Phase: Preclinical
Molecular Formula: C18H14ClN5O3
Molecular Weight: 383.80
Associated Items:
Representations
Canonical SMILES: COc1ccc(-c2noc(-c3cc(Cl)ccc3-n3cncn3)n2)cc1OC
Standard InChI: InChI=1S/C18H14ClN5O3/c1-25-15-6-3-11(7-16(15)26-2)17-22-18(27-23-17)13-8-12(19)4-5-14(13)24-10-20-9-21-24/h3-10H,1-2H3
Standard InChI Key: OSVORJSIGHIQJK-UHFFFAOYSA-N
Associated Targets(Human)
Metabotropic glutamate receptor 7 376 Activities
Associated Targets(non-human)
Metabotropic glutamate receptor 7 580 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 383.80 | Molecular Weight (Monoisotopic): 383.0785 | AlogP: 3.65 | #Rotatable Bonds: 5 |
| Polar Surface Area: 88.09 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.53 | CX LogP: 3.61 | CX LogD: 3.61 |
| Aromatic Rings: 4 | Heavy Atoms: 27 | QED Weighted: 0.52 | Np Likeness Score: -1.82 |
References
| 1. Reed CW, Rodriguez AL, Kalbfleisch JJ, Seto M, Jenkins MT, Blobaum AL, Chang S, Lindsley CW, Niswender CM.. (2022) Development and profiling of mGlu7 NAMs with a range of saturable inhibition of agonist responses in vitro., 74 [PMID:35944850] [10.1016/j.bmcl.2022.128923] |
Source
Source(1):