| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3326184
Max Phase: Preclinical
Molecular Formula: C18H12ClN3O6
Molecular Weight: 401.76
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(NNC(=O)c1occc1-c1ccc(Cl)cc1)c1ccc(O)c([N+](=O)[O-])c1
Standard InChI: InChI=1S/C18H12ClN3O6/c19-12-4-1-10(2-5-12)13-7-8-28-16(13)18(25)21-20-17(24)11-3-6-15(23)14(9-11)22(26)27/h1-9,23H,(H,20,24)(H,21,25)
Standard InChI Key: CNYARJOQCNHFTG-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: 401.76 | Molecular Weight (Monoisotopic): 401.0415 | AlogP: 3.29 | #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: 3.04 | CX LogD: 1.22 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.45 | Np Likeness Score: -1.26 |
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):