| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3326178
Max Phase: Preclinical
Molecular Formula: C18H13N3O6
Molecular Weight: 367.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(NNC(=O)c1occc1-c1ccccc1)c1ccc(O)c([N+](=O)[O-])c1
Standard InChI: InChI=1S/C18H13N3O6/c22-15-7-6-12(10-14(15)21(25)26)17(23)19-20-18(24)16-13(8-9-27-16)11-4-2-1-3-5-11/h1-10,22H,(H,19,23)(H,20,24)
Standard InChI Key: BUDXBKRZWUDJFO-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: 367.32 | Molecular Weight (Monoisotopic): 367.0804 | AlogP: 2.64 | #Rotatable Bonds: 4 |
| Polar Surface Area: 134.71 | Molecular Species: ACID | HBA: 6 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 5.75 | CX Basic pKa: | CX LogP: 2.43 | CX LogD: 0.62 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.48 | Np Likeness Score: -1.12 |
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):