ID: ALA3716253
Chembl Id: CHEMBL3716253
PubChem CID: 58345723
Max Phase: Preclinical
Molecular Formula: C13H17N3O
Molecular Weight: 231.30
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: Cc1nc2ccc(O)nc2n1C1CCCCC1
Standard InChI: InChI=1S/C13H17N3O/c1-9-14-11-7-8-12(17)15-13(11)16(9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,15,17)
Standard InChI Key: WJKZYWAHBPIEOJ-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 231.30 | Molecular Weight (Monoisotopic): 231.1372 | AlogP: 2.95 | #Rotatable Bonds: 1 |
| Polar Surface Area: 50.94 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 11.85 | CX Basic pKa: 3.11 | CX LogP: 2.85 | CX LogD: 2.85 |
| Aromatic Rings: 2 | Heavy Atoms: 17 | QED Weighted: 0.82 | Np Likeness Score: -1.17 |
| 1. (2013) 3H-imidazo[4,5-b]pyridin-5-ol derivatives useful in the treatment of GPR81 receptor disorders, |
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