ID: ALA3673121
Chembl Id: CHEMBL3673121
PubChem CID: 71059966
Max Phase: Preclinical
Molecular Formula: C30H26Cl2N2O3
Molecular Weight: 533.46
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CC(Nc1ccc(-c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1-c1ccc(C(=O)NCCC(=O)O)cc1
Standard InChI: InChI=1S/C30H26Cl2N2O3/c1-19(34-26-13-8-21(9-14-26)20-6-10-24(31)11-7-20)27-15-12-25(32)18-28(27)22-2-4-23(5-3-22)30(37)33-17-16-29(35)36/h2-15,18-19,34H,16-17H2,1H3,(H,33,37)(H,35,36)
Standard InChI Key: VTPFIFMNWSMPMA-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: 533.46 | Molecular Weight (Monoisotopic): 532.1320 | AlogP: 7.71 | #Rotatable Bonds: 9 |
| Polar Surface Area: 78.43 | Molecular Species: ACID | HBA: 3 | HBD: 3 |
| #RO5 Violations: 2 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 4.36 | CX Basic pKa: 3.53 | CX LogP: 6.55 | CX LogD: 3.90 |
| Aromatic Rings: 4 | Heavy Atoms: 37 | QED Weighted: 0.21 | Np Likeness Score: -0.79 |
| 1. (2015) Biphenyl derivatives useful as glucagon receptor antagonists, |
Source(1):
