| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3359004
Max Phase: Preclinical
Molecular Formula: C16H12N2O4
Molecular Weight: 296.28
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(NNC(=O)c1cc(-c2ccccc2)co1)c1ccoc1
Standard InChI: InChI=1S/C16H12N2O4/c19-15(12-6-7-21-9-12)17-18-16(20)14-8-13(10-22-14)11-4-2-1-3-5-11/h1-10H,(H,17,19)(H,18,20)
Standard InChI Key: BCDONSJZWJPBEN-UHFFFAOYSA-N
Associated Targets(non-human)
Glucagon receptor 262 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: 296.28 | Molecular Weight (Monoisotopic): 296.0797 | AlogP: 2.61 | #Rotatable Bonds: 3 |
| Polar Surface Area: 84.48 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.66 | CX Basic pKa: | CX LogP: 1.94 | CX LogD: 1.33 |
| Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.73 | Np Likeness Score: -0.82 |
References
| 1. Hasegawa F, Niidome K, Migihashi C, Murata M, Negoro T, Matsumoto T, Kato K, Fujii A.. (2014) Discovery of furan-2-carbohydrazides as orally active glucagon receptor antagonists., 24 (17): [PMID:25127101] [10.1016/j.bmcl.2014.07.025] |
Source
Source(1):