| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3617568
Max Phase: Preclinical
Molecular Formula: C27H31N3O3
Molecular Weight: 445.56
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cc2ccccc2nc1NC(c1ccc(C(=O)NCCC(=O)O)cc1)C1CC(C)(C)C1
Standard InChI: InChI=1S/C27H31N3O3/c1-17-14-20-6-4-5-7-22(20)29-25(17)30-24(21-15-27(2,3)16-21)18-8-10-19(11-9-18)26(33)28-13-12-23(31)32/h4-11,14,21,24H,12-13,15-16H2,1-3H3,(H,28,33)(H,29,30)(H,31,32)
Standard InChI Key: JHYVBNOMIUNRJS-UHFFFAOYSA-N
Associated Targets(Human)
GCGR Tclin Glucagon receptor (2563 Activities)
GCG Tchem Glucagon (136 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
|---|
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: 445.56 | Molecular Weight (Monoisotopic): 445.2365 | AlogP: 5.34 | #Rotatable Bonds: 8 |
| Polar Surface Area: 91.32 | Molecular Species: ACID | HBA: 4 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 3.91 | CX Basic pKa: 6.27 | CX LogP: 3.18 | CX LogD: 2.16 |
| Aromatic Rings: 3 | Heavy Atoms: 33 | QED Weighted: 0.44 | Np Likeness Score: -0.56 |
References
| 1. Sammons MF, Lee EC.. (2015) Recent progress in the development of small-molecule glucagon receptor antagonists., 25 (19): [PMID:26271588] [10.1016/j.bmcl.2015.07.092] |
| 2. (2015) Quinolinyl glucagon receptor modulators, |
Source
Source(2):