| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3326176
Max Phase: Preclinical
Molecular Formula: C25H20N2O5
Molecular Weight: 428.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cc(C(=O)NNC(=O)c2occ(-c3ccccc3)c2-c2ccccc2)ccc1O
Standard InChI: InChI=1S/C25H20N2O5/c1-31-21-14-18(12-13-20(21)28)24(29)26-27-25(30)23-22(17-10-6-3-7-11-17)19(15-32-23)16-8-4-2-5-9-16/h2-15,28H,1H3,(H,26,29)(H,27,30)
Standard InChI Key: WRJKILCSUXIMOP-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: 428.44 | Molecular Weight (Monoisotopic): 428.1372 | AlogP: 4.40 | #Rotatable Bonds: 5 |
| Polar Surface Area: 100.80 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.53 | CX Basic pKa: | CX LogP: 3.98 | CX LogD: 3.77 |
| Aromatic Rings: 4 | Heavy Atoms: 32 | QED Weighted: 0.41 | Np Likeness Score: -0.23 |
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):