| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3681969
Max Phase: Preclinical
Molecular Formula: C25H29N3O3
Molecular Weight: 419.53
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc2ncc(NC(CC(C)C)c3ccc(C(=O)NCCC(=O)O)cc3)cc2c1
Standard InChI: InChI=1S/C25H29N3O3/c1-16(2)12-23(28-21-14-20-13-17(3)4-9-22(20)27-15-21)18-5-7-19(8-6-18)25(31)26-11-10-24(29)30/h4-9,13-16,23,28H,10-12H2,1-3H3,(H,26,31)(H,29,30)
Standard InChI Key: QRKSJRJLTHRHMS-UHFFFAOYSA-N
Associated Targets(Human)
GCG Tchem Glucagon (136 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: 419.53 | Molecular Weight (Monoisotopic): 419.2209 | AlogP: 4.95 | #Rotatable Bonds: 9 |
| Polar Surface Area: 91.32 | Molecular Species: ACID | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.84 | CX Basic pKa: 4.76 | CX LogP: 3.32 | CX LogD: 1.13 |
| Aromatic Rings: 3 | Heavy Atoms: 31 | QED Weighted: 0.46 | Np Likeness Score: -1.05 |
References
| 1. (2015) Quinolinyl glucagon receptor modulators, |
Source
Source(1):