| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3673117
Max Phase: Preclinical
Molecular Formula: C29H24FN3O5
Molecular Weight: 513.53
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)CCNC(=O)c1ccc(-c2ccccc2CNc2ccc(-c3ccc(F)c([N+](=O)[O-])c3)cc2)cc1
Standard InChI: InChI=1S/C29H24FN3O5/c30-26-14-11-22(17-27(26)33(37)38)19-9-12-24(13-10-19)32-18-23-3-1-2-4-25(23)20-5-7-21(8-6-20)29(36)31-16-15-28(34)35/h1-14,17,32H,15-16,18H2,(H,31,36)(H,34,35)
Standard InChI Key: RNNUVFDEXIFTNE-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: 513.53 | Molecular Weight (Monoisotopic): 513.1700 | AlogP: 5.88 | #Rotatable Bonds: 10 |
| Polar Surface Area: 121.57 | Molecular Species: ACID | HBA: 5 | HBD: 3 |
| #RO5 Violations: 2 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 4.37 | CX Basic pKa: 3.54 | CX LogP: 5.00 | CX LogD: 2.36 |
| Aromatic Rings: 4 | Heavy Atoms: 38 | QED Weighted: 0.18 | Np Likeness Score: -1.12 |
References
| 1. (2015) Biphenyl derivatives useful as glucagon receptor antagonists, |
Source
Source(1):