| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3326173
Max Phase: Preclinical
Molecular Formula: C24H17BrN2O4
Molecular Weight: 477.31
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)c(Br)c1
Standard InChI: InChI=1S/C24H17BrN2O4/c25-19-13-17(11-12-20(19)28)23(29)26-27-24(30)22-21(16-9-5-2-6-10-16)18(14-31-22)15-7-3-1-4-8-15/h1-14,28H,(H,26,29)(H,27,30)
Standard InChI Key: ZVKCPZAQZVTZAS-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: 477.31 | Molecular Weight (Monoisotopic): 476.0372 | AlogP: 5.16 | #Rotatable Bonds: 4 |
| Polar Surface Area: 91.57 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 6.92 | CX Basic pKa: | CX LogP: 4.91 | CX LogD: 4.30 |
| Aromatic Rings: 4 | Heavy Atoms: 31 | QED Weighted: 0.35 | Np Likeness Score: -0.35 |
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):