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ID: ALA3326188
Max Phase: Preclinical
Molecular Formula: C23H23N3O6
Molecular Weight: 437.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCc1ccc(-c2ccoc2C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1
Standard InChI: InChI=1S/C23H23N3O6/c1-2-3-4-5-15-6-8-16(9-7-15)18-12-13-32-21(18)23(29)25-24-22(28)17-10-11-20(27)19(14-17)26(30)31/h6-14,27H,2-5H2,1H3,(H,24,28)(H,25,29)
Standard InChI Key: XOVVMEVNXYGYEG-UHFFFAOYSA-N
Associated Targets(Human)
Glucagon receptor 2563 Activities
Glucagon-like peptide 1 receptor 111429 Activities
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HERG 29587 Activities
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Associated Targets(non-human)
Glucagon receptor 262 Activities
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Rattus norvegicus 775804 Activities
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 437.45 | Molecular Weight (Monoisotopic): 437.1587 | AlogP: 4.37 | #Rotatable Bonds: 8 |
| 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: 4.72 | CX LogD: 2.91 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.27 | 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):