ID: ALA3719204
Chembl Id: CHEMBL3719204
PubChem CID: 58345642
Max Phase: Preclinical
Molecular Formula: C13H10BrN3O
Molecular Weight: 304.15
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: Cc1ccccc1-n1c(Br)nc2ccc(O)nc21
Standard InChI: InChI=1S/C13H10BrN3O/c1-8-4-2-3-5-10(8)17-12-9(15-13(17)14)6-7-11(18)16-12/h2-7H,1H3,(H,16,18)
Standard InChI Key: XTKYYFDXBSWFOY-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: 304.15 | Molecular Weight (Monoisotopic): 303.0007 | AlogP: 3.20 | #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: 11.64 | CX Basic pKa: 0.13 | CX LogP: 4.16 | CX LogD: 4.16 |
| Aromatic Rings: 3 | Heavy Atoms: 18 | QED Weighted: 0.75 | Np Likeness Score: -1.23 |
| 1. (2013) 3H-imidazo[4,5-b]pyridin-5-ol derivatives useful in the treatment of GPR81 receptor disorders, |
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