| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3715577
Max Phase: Preclinical
Molecular Formula: C12H8ClN3O
Molecular Weight: 245.67
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Oc1ccc2ncn(-c3ccccc3Cl)c2n1
Standard InChI: InChI=1S/C12H8ClN3O/c13-8-3-1-2-4-10(8)16-7-14-9-5-6-11(17)15-12(9)16/h1-7H,(H,15,17)
Standard InChI Key: ATLOWEQMUKCOCB-UHFFFAOYSA-N
Associated Targets(Human)
G-protein coupled receptor 81 382 Activities
Associated Targets(non-human)
Mus musculus 284745 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Rattus norvegicus 775804 Activities
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 245.67 | Molecular Weight (Monoisotopic): 245.0356 | AlogP: 2.78 | #Rotatable Bonds: 1 |
| Polar Surface Area: 50.94 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.77 | CX Basic pKa: 2.15 | CX LogP: 3.19 | CX LogD: 3.19 |
| Aromatic Rings: 3 | Heavy Atoms: 17 | QED Weighted: 0.72 | Np Likeness Score: -1.45 |
References
| 1. (2013) 3H-imidazo[4,5-b]pyridin-5-ol derivatives useful in the treatment of GPR81 receptor disorders, |
Source
Source(1):