ID: ALA3673123
Chembl Id: CHEMBL3673123
PubChem CID: 71060092
Max Phase: Preclinical
Molecular Formula: C29H25ClN2O3
Molecular Weight: 484.98
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: O=C(O)CCNC(=O)c1ccc(-c2ccccc2CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1
Standard InChI: InChI=1S/C29H25ClN2O3/c30-25-13-9-20(10-14-25)21-11-15-26(16-12-21)32-19-24-3-1-2-4-27(24)22-5-7-23(8-6-22)29(35)31-18-17-28(33)34/h1-16,32H,17-19H2,(H,31,35)(H,33,34)
Standard InChI Key: GLNLDLRESPSTDS-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 484.98 | Molecular Weight (Monoisotopic): 484.1554 | AlogP: 6.49 | #Rotatable Bonds: 9 |
| Polar Surface Area: 78.43 | Molecular Species: ACID | HBA: 3 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 4.38 | CX Basic pKa: 3.60 | CX LogP: 5.50 | CX LogD: 2.88 |
| Aromatic Rings: 4 | Heavy Atoms: 35 | QED Weighted: 0.25 | Np Likeness Score: -0.84 |
| 1. (2015) Biphenyl derivatives useful as glucagon receptor antagonists, |
Source(1):
