| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2144495
Max Phase: Preclinical
Molecular Formula: C13H10N2O3
Molecular Weight: 242.23
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)/C=C/c1ccc(Oc2ncccn2)cc1
Standard InChI: InChI=1S/C13H10N2O3/c16-12(17)7-4-10-2-5-11(6-3-10)18-13-14-8-1-9-15-13/h1-9H,(H,16,17)/b7-4+
Standard InChI Key: APRNLMIZUQMXDA-QPJJXVBHSA-N
Associated Targets(Human)
Glycoprotein hormones alpha chain 29278 Activities
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: 242.23 | Molecular Weight (Monoisotopic): 242.0691 | AlogP: 2.37 | #Rotatable Bonds: 4 |
| Polar Surface Area: 72.31 | Molecular Species: ACID | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.14 | CX Basic pKa: 0.97 | CX LogP: 2.39 | CX LogD: -1.06 |
| Aromatic Rings: 2 | Heavy Atoms: 18 | QED Weighted: 0.83 | Np Likeness Score: -0.50 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):